Content for NMR-STAR saveframe, "NOESY_peak_list"
save_NOESY_peak_list
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode NOESY_peak_list
_Spectral_peak_list.Entry_ID 21098
_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 .
_Spectral_peak_list.Chem_shift_reference_label .
_Spectral_peak_list.Experiment_ID 1
_Spectral_peak_list.Experiment_name '2D 1H-1H NOESY'
_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_chem_shift_list_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format .
_Spectral_peak_list.Text_data
;
Number # Position F1 Position F2 Assign F1 Assign F2 Height Volume Vol. Method
1 277 8.52678 1.46897 (2Ile/4Asn)H 3IleHg1b 4.92810e+04 3.74291e+05 box sum
2 150 1.83737 4.33998 (2Ile/8Arg)Hb (2Ile/8Arg)Ha 4.69745e+05 3.69776e+06 box sum
3 299 0.87394 1.14214 (3Ile/2Ile)Hd1* (3Ile/2Ile)Hg1a 3.54350e+06 2.53065e+07 box sum
4 261 8.45503 3.62642 (7Asn/15Val)H 6ProHda 6.18900e+04 4.63345e+05 box sum
5 353 8.45599 6.89967 (7Asn/15Val)H 7AsnHd2a 3.87670e+04 2.94438e+05 box sum
6 345 7.58550 1.86361 (7Asn/4Asn)Hd2b (19Arg/6Pro)Hb* 4.13850e+04 3.08086e+05 box sum
7 370 1.74138 5.12173 (8Arg/10Pro)(Hba/Hgb) 9CysHa 3.75940e+04 2.80655e+05 box sum
8 294 1.74813 3.01002 (8Arg/19Arg)Hba (20Cys/17Lys)(Hbb/He*) 7.53330e+04 5.19651e+05 box sum
9 50 7.17320 3.16777 (8Arg/21Arg)He (8Arg/21Arg)Hd* 1.95332e+05 1.37951e+06 box sum
10 113 2.85117 8.42316 (9Cys/13His)Hb* (9Cys/22Ile)H 1.64039e+05 1.19846e+06 box sum
11 378 1.76055 3.53627 (10Pro/19Arg)(Hgb/Hba) (11Pro/18Gly)(Hda/Haa) 4.64320e+04 3.31338e+05 box sum
12 175 1.34127 3.76520 (10Pro/5Ala)Hb* (10Pro/6Pro)Hdb 2.70980e+05 1.95452e+06 box sum
13 67 8.45522 2.78800 (15Val/7Asn)H 7AsnHba 3.84605e+05 2.92401e+06 box sum
14 293 0.91043 2.84347 (16Val/15Val)(Hga*/Hgb*) 13HisHba 5.09440e+04 3.31212e+05 box sum
15 310 0.90727 3.53407 (16Val/15Val)(Hga*/Hgb*) 18GlyHaa 5.98430e+04 3.97371e+05 box sum
16 218 0.90833 1.84851 (16Val/2Ile)(Hg*/Hg2*) (16Val/2Ile)Hb 1.43268e+06 1.13587e+07 box sum
17 219 0.89762 1.84188 (16Val/2Ile)(Hga*/Hg2*) (16Val/2Ile)Hb 1.31913e+06 9.99585e+06 box sum
18 118 0.78418 8.44533 (22Ile/14Val)(Hg2*/Hga*) (22Ile/15Val)H 4.46018e+05 3.36028e+06 box sum
19 122 0.78533 5.18452 (22Ile/14Val)(Hg2*/Hga*) 13HisHa 1.25087e+05 8.82834e+05 box sum
20 101 8.44900 0.77851 (22Ile/15Val)H {*}(Hga*/Hg2*/Hga*) 5.17505e+05 3.91907e+06 box sum
21 6 4.06883 4.29176 1ThrHa 1ThrHb 6.16146e+05 3.99910e+06 box sum
22 153 1.40649 4.29336 1ThrHg2* 1ThrHb 1.37996e+06 8.33571e+06 box sum
23 162 1.40726 4.06712 1ThrHg2* 1ThrHa 2.88938e+05 2.00939e+06 box sum
24 279 8.52503 1.15050 2IleH 2IleHg1a 4.58590e+04 3.40637e+05 box sum
25 363 8.50764 4.33983 2IleH 2IleHa 5.51990e+04 4.49369e+05 box sum
26 231 0.85462 1.41327 2IleHd1* 2IleHg1b 2.08460e+06 1.26256e+07 box sum
27 385 0.86199 4.34120 2IleHd1* 2IleHa 6.42020e+04 4.59341e+05 box sum
28 230 1.15195 1.41608 2IleHg1a 2IleHg1b 1.60898e+06 1.28548e+07 box sum
29 313 1.14542 4.34384 2IleHg1a 2IleHa 4.41840e+04 3.33930e+05 box sum
30 120 0.87542 8.28482 3Ile(Hg2*/Hd1*) 3IleH 1.80145e+05 1.35173e+06 box sum
31 220 0.86528 1.80109 3Ile(Hg2*/Hd1*) 3IleHb 6.97978e+05 4.20263e+06 box sum
32 34 8.28600 4.34288 3IleH 2IleHa 1.35001e+06 9.86774e+06 box sum
33 42 8.28516 4.11654 3IleH 3IleHa 2.82291e+05 1.94970e+06 box sum
34 78 8.28621 1.80666 3IleH 3IleHb 5.76458e+05 4.34622e+06 box sum
35 85 8.28612 1.47206 3IleH 3IleHg1b 1.62702e+05 1.21825e+06 box sum
36 88 8.28616 1.14950 3IleH (2Ile/3Ile)Hg1a 1.90487e+05 1.40604e+06 box sum
37 95 8.28618 0.88473 3IleH 3Ile(Hg2*/Hg2*/Hd1*) 3.64955e+05 2.76038e+06 box sum
38 160 1.80390 4.11654 3IleHb 3IleHa 1.79528e+05 1.37951e+06 box sum
39 228 0.86801 1.46891 3IleHd1* 3IleHg1b 1.41361e+06 9.02034e+06 box sum
40 314 1.14627 4.11695 3IleHg1a 3IleHa 5.36690e+04 4.24778e+05 box sum
41 377 1.46477 4.11521 3IleHg1b 3IleHa 4.27020e+04 3.11579e+05 box sum
42 161 0.87643 4.12068 3IleHg2* 3IleHa 4.45570e+05 3.30912e+06 box sum
43 27 8.52502 4.68272 4AsnH 4AsnHa 3.73170e+05 2.67778e+06 box sum
44 41 8.52649 4.11646 4AsnH 3IleHa 1.14270e+06 8.11405e+06 box sum
45 70 8.52654 2.70105 4AsnH 4AsnHba 2.48993e+05 1.84803e+06 box sum
46 77 8.52679 1.80416 4AsnH 3IleHb 1.33680e+05 1.00561e+06 box sum
47 98 8.52671 0.87978 4AsnH 3IleHg2* 2.14952e+05 1.61405e+06 box sum
48 278 8.52916 1.34326 4AsnH 5AlaHb* 4.35480e+04 3.22965e+05 box sum
49 134 2.70899 4.67849 4AsnHba 4AsnHa 2.47906e+05 1.88151e+06 box sum
50 337 2.70765 8.23566 4AsnHba 5AlaH 4.83620e+04 3.70742e+05 box sum
51 137 2.76405 4.66587 4AsnHbb 4AsnHa 2.70315e+05 2.05239e+06 box sum
52 340 2.76282 8.52526 4AsnHbb 4AsnH 9.37880e+04 6.63311e+05 box sum
53 247 6.86040 0.88199 4AsnHd2a 14ValHgb* 9.06910e+04 7.11544e+05 box sum
54 350 6.86265 2.69695 4AsnHd2a 4AsnHba 4.83640e+04 3.57286e+05 box sum
55 71 7.58215 2.70775 4AsnHd2b 4AsnHba 1.19462e+05 8.72764e+05 box sum
56 244 7.58070 0.89218 4AsnHd2b 14ValHgb* 1.02741e+05 7.71384e+05 box sum
57 270 7.58196 4.60335 4AsnHd2b 14ValHa 5.67670e+04 4.17419e+05 box sum
58 367 7.58285 4.39981 4AsnHd2b 6ProHa 3.15180e+04 2.41262e+05 box sum
59 368 7.57665 3.77302 4AsnHd2b 6ProHdb 3.26500e+04 2.35112e+05 box sum
60 28 8.23075 4.67946 5AlaH 4AsnHa 1.24167e+06 8.39646e+06 box sum
61 32 8.22990 4.57582 5AlaH 5AlaHa 3.56154e+05 2.37098e+06 box sum
62 86 8.23082 1.34085 5AlaH 5AlaHb* 8.45515e+05 5.68167e+06 box sum
63 96 8.23008 0.88327 5AlaH (3Ile/14Val)(Hg2*/Hgb*) 1.29002e+05 9.92335e+05 box sum
64 253 8.23055 8.52833 5AlaH 4AsnH 8.84590e+04 5.89121e+05 box sum
65 260 8.23115 3.76364 5AlaH 6ProHdb 8.03730e+04 5.75205e+05 box sum
66 262 8.23022 3.62489 5AlaH 6ProHda 5.94460e+04 4.05083e+05 box sum
67 289 8.23054 0.77362 5AlaH (15Val/14Val)Hga* 4.29960e+04 3.44220e+05 box sum
68 359 8.23070 2.76744 5AlaH 4AsnHbb 1.07839e+05 7.91347e+05 box sum
69 144 1.34084 4.57351 5AlaHb* 5AlaHa 1.06592e+06 7.08227e+06 box sum
70 178 1.34097 3.62851 5AlaHb* 6ProHda 4.52256e+05 3.14215e+06 box sum
71 177 1.88430 3.62762 6ProHba 6ProHda 1.22156e+05 9.48634e+05 box sum
72 210 1.86571 2.27272 6ProHba 6ProHbb 1.57955e+06 1.20712e+07 box sum
73 149 2.27757 4.40509 6ProHbb 6ProHa 3.44427e+05 2.65761e+06 box sum
74 302 2.27289 3.76225 6ProHbb 6ProHdb 8.33040e+04 6.43572e+05 box sum
75 303 2.27540 3.63172 6ProHbb 6ProHda 4.17990e+04 3.32279e+05 box sum
76 5 3.63014 4.57415 6ProHda 5AlaHa 6.81882e+05 5.19938e+06 box sum
77 8 3.63144 3.76042 6ProHda 6ProHdb 5.01572e+06 3.65114e+07 box sum
78 4 3.75920 4.57423 6ProHdb 5AlaHa 7.27693e+05 5.57169e+06 box sum
79 174 2.00465 3.76057 6ProHg* 6ProHdb 6.39549e+05 4.97095e+06 box sum
80 176 2.00390 3.62729 6ProHg* 6ProHda 4.84240e+05 3.84724e+06 box sum
81 209 2.01392 2.27004 6ProHg* 6ProHbb 8.08733e+05 6.21799e+06 box sum
82 316 2.00444 4.57521 6ProHg* 5AlaHa 6.52220e+04 5.03534e+05 box sum
83 33 8.45538 4.40415 7AsnH 6ProHa 1.01770e+06 7.20939e+06 box sum
84 254 8.45607 2.27445 7AsnH 6ProHbb 9.36600e+04 6.45520e+05 box sum
85 139 2.78192 4.63090 7AsnHba 7AsnHa 4.28756e+05 3.08706e+06 box sum
86 338 2.78175 8.19224 7AsnHba 8ArgH 6.36390e+04 4.76039e+05 box sum
87 382 2.79771 3.02225 7AsnHba 20CysHbb 1.97302e+05 1.60559e+06 box sum
88 111 2.81769 8.44964 7AsnHbb 7AsnH 1.75922e+05 1.27804e+06 box sum
89 117 2.81908 7.58228 7AsnHbb 7AsnHd2b 1.23897e+05 9.06738e+05 box sum
90 140 2.81891 4.62453 7AsnHbb 7AsnHa 5.14365e+05 3.62280e+06 box sum
91 322 2.82614 4.95632 7AsnHbb 20CysHa 7.62310e+04 5.78470e+05 box sum
92 330 2.82060 6.90980 7AsnHbb 7AsnHd2a 6.56920e+04 4.74442e+05 box sum
93 381 2.82415 3.02415 7AsnHbb 20CysHbb 1.95905e+05 1.53198e+06 box sum
94 25 6.90962 4.76897 7AsnHd2a 19ArgHa 1.52496e+05 1.03400e+06 box sum
95 69 6.91048 2.79356 7AsnHd2a 7AsnHba 1.30551e+05 9.28484e+05 box sum
96 246 6.91207 0.88968 7AsnHd2a 16ValHga* 8.97050e+04 6.92536e+05 box sum
97 271 6.91002 4.59817 7AsnHd2a 14ValHa 6.91910e+04 4.44502e+05 box sum
98 291 6.90974 0.77305 7AsnHd2a 15ValHga* 4.53280e+04 3.46321e+05 box sum
99 348 6.90700 1.86571 7AsnHd2a 19ArgHbb 3.46770e+04 2.75101e+05 box sum
100 351 6.91138 2.59763 7AsnHd2a 9CysHba 3.53490e+04 2.42454e+05 box sum
101 23 7.58063 4.77047 7AsnHd2b 19ArgHa 4.34913e+05 2.91064e+06 box sum
102 68 7.58175 2.78577 7AsnHd2b 7AsnHba 2.47827e+05 1.76904e+06 box sum
103 290 7.58247 0.77582 7AsnHd2b 15ValHga* 4.38860e+04 3.34126e+05 box sum
104 29 8.18254 4.62508 8ArgH 7AsnHa 7.04510e+05 5.10484e+06 box sum
105 35 8.18093 4.33915 8ArgH 8ArgHa 3.12064e+05 2.19067e+06 box sum
106 66 8.17920 2.81097 8ArgH 7AsnHbb 1.32456e+05 1.04295e+06 box sum
107 76 8.18235 1.84637 8ArgH 8ArgHbb 2.71499e+05 2.03197e+06 box sum
108 79 8.18235 1.74489 8ArgH 8ArgHba 3.60626e+05 2.66145e+06 box sum
109 84 8.18171 1.57948 8ArgH 8ArgHg* 2.50077e+05 1.88656e+06 box sum
110 106 8.18060 8.43116 8ArgH 9CysH 1.97418e+05 1.47023e+06 box sum
111 264 8.17712 3.17327 8ArgH 8ArgHd* 5.78240e+04 4.34128e+05 box sum
112 151 1.75187 4.33792 8ArgHba 8ArgHa 2.57331e+05 2.04118e+06 box sum
113 196 1.74065 3.18219 8ArgHba 8ArgHd* 2.51032e+05 2.19392e+06 box sum
114 198 1.84355 3.17736 8ArgHbb 8ArgHd* 2.86963e+05 2.36004e+06 box sum
115 232 1.83215 1.58677 8ArgHbb 8ArgHg* 2.12906e+06 1.65893e+07 box sum
116 305 3.17041 4.33967 8ArgHd* 8ArgHa 1.25065e+05 8.91524e+05 box sum
117 152 1.58877 4.33924 8ArgHg* 8ArgHa 2.48619e+05 1.90759e+06 box sum
118 200 1.58876 3.16878 8ArgHg* 8ArgHd* 7.79806e+05 5.88900e+06 box sum
119 17 8.41874 5.12311 9CysH 9CysHa 3.36153e+05 2.39071e+06 box sum
120 63 8.41811 2.85854 9CysH 9CysHbb 2.77671e+05 2.11270e+06 box sum
121 72 8.41807 2.59838 9CysH 9CysHba 6.77040e+05 5.04635e+06 box sum
122 75 8.41827 1.84773 9CysH 8ArgHbb 1.99352e+05 1.54123e+06 box sum
123 81 8.42134 1.73445 9CysH 8ArgHba 1.77376e+05 1.44278e+06 box sum
124 259 8.42013 3.77580 9CysH 10ProHdb 6.08430e+04 4.48869e+05 box sum
125 125 2.59897 5.11966 9CysHba 9CysHa 2.23266e+05 1.51004e+06 box sum
126 189 2.60195 3.29475 9CysHba 13HisHbb 2.69988e+05 2.14348e+06 box sum
127 193 2.60129 2.86386 9CysHba 9CysHbb 3.02659e+06 2.40561e+07 box sum
128 304 2.59943 3.78315 9CysHba 10ProHdb 4.89130e+04 2.96700e+05 box sum
129 328 2.59743 4.60068 9CysHba 14ValHa 5.22400e+04 3.61859e+05 box sum
130 383 2.60350 3.02836 9CysHba 20CysHbb 6.45660e+04 5.02548e+05 box sum
131 123 2.85272 5.12694 9CysHbb 9CysHa 4.66043e+05 3.50790e+06 box sum
132 170 2.84815 3.78118 9CysHbb 10ProHdb 3.51524e+05 2.69153e+06 box sum
133 136 1.34245 4.67012 10ProHba 10ProHa 1.71853e+05 1.33823e+06 box sum
134 183 1.35466 3.54232 10ProHba 11ProHda 1.34229e+05 1.07094e+06 box sum
135 207 1.35601 2.34201 10ProHba 10ProHbb 9.66970e+05 7.82583e+06 box sum
136 221 1.33711 1.75251 10ProHba 10ProHgb 2.77434e+05 2.11854e+06 box sum
137 295 1.33775 2.79045 10ProHba 10ProHda 8.98610e+04 7.26356e+05 box sum
138 135 2.34298 4.66866 10ProHbb 10ProHa 4.97046e+05 3.96550e+06 box sum
139 167 2.35192 3.82577 10ProHbb 11ProHdb 1.67306e+05 1.36350e+06 box sum
140 179 2.34216 3.54587 10ProHbb 11ProHda 2.73324e+05 2.21756e+06 box sum
141 124 2.79533 5.12063 10ProHda 9CysHa 3.10436e+05 2.47119e+06 box sum
142 173 2.79319 3.77921 10ProHda 10ProHdb 1.38681e+06 1.10611e+07 box sum
143 13 3.77962 5.12069 10ProHdb 9CysHa 1.08656e+06 8.32836e+06 box sum
144 172 1.28303 3.78235 10ProHga 10ProHdb 2.07155e+05 1.68644e+06 box sum
145 201 1.29003 2.79270 10ProHga 10ProHda 2.35575e+05 1.89167e+06 box sum
146 208 1.29647 2.34131 10ProHga 10ProHbb 5.25517e+05 4.17014e+06 box sum
147 222 1.28248 1.74769 10ProHga 10ProHgb 1.48556e+06 1.16516e+07 box sum
148 331 1.29309 4.66978 10ProHga 10ProHa 9.13890e+04 6.94196e+05 box sum
149 336 1.30182 8.01475 10ProHga 13HisH 5.32280e+04 3.86067e+05 box sum
150 379 1.29199 3.29632 10ProHga 13HisHbb 3.59860e+04 2.47907e+05 box sum
151 138 1.74999 4.66709 10ProHgb 10ProHa 1.11344e+05 8.88824e+05 box sum
152 171 1.75400 3.78033 10ProHgb 10ProHdb 2.94475e+05 2.33223e+06 box sum
153 202 1.75797 2.79502 10ProHgb 10ProHda 1.10602e+05 8.61997e+05 box sum
154 206 1.74930 2.34016 10ProHgb 10ProHbb 3.01246e+05 2.39170e+06 box sum
155 369 1.75932 5.12145 10ProHgb 9CysHa 3.45980e+04 2.56039e+05 box sum
156 148 1.88566 4.42615 11ProHba 11ProHa 2.73077e+05 2.16198e+06 box sum
157 169 1.89510 3.83177 11ProHba 11ProHdb 1.64705e+05 1.30792e+06 box sum
158 182 1.88947 3.54547 11ProHba 11ProHda 1.91690e+05 1.54152e+06 box sum
159 205 1.88479 2.37722 11ProHba 11ProHbb 2.30871e+06 1.79880e+07 box sum
160 211 1.89756 2.13906 11ProHba 11ProHgb 8.52657e+05 6.42057e+06 box sum
161 146 2.38071 4.43542 11ProHbb 11ProHa 4.81596e+05 3.87963e+06 box sum
162 3 3.54833 4.66872 11ProHda 10ProHa 4.63744e+05 3.67530e+06 box sum
163 9 3.54858 3.83039 11ProHda 11ProHdb 3.20401e+06 2.52248e+07 box sum
164 376 3.54798 4.43395 11ProHda 11ProHa 3.69230e+04 2.62746e+05 box sum
165 2 3.83043 4.66898 11ProHdb 10ProHa 1.08105e+06 8.24524e+06 box sum
166 325 3.82310 4.43527 11ProHdb 11ProHa 6.28070e+04 4.81507e+05 box sum
167 147 2.04087 4.43307 11ProHga 11ProHa 1.65515e+05 1.24143e+06 box sum
168 166 2.03105 3.83961 11ProHga 11ProHdb 5.22598e+05 4.32246e+06 box sum
169 181 2.04218 3.54545 11ProHga 11ProHda 3.63439e+05 2.76314e+06 box sum
170 204 2.03793 2.37600 11ProHga 11ProHbb 6.36643e+05 4.98786e+06 box sum
171 317 2.04157 4.66664 11ProHga 10ProHa 5.60470e+04 3.61375e+05 box sum
172 145 2.13842 4.43678 11ProHgb 11ProHa 1.17394e+05 8.82004e+05 box sum
173 168 2.13870 3.83066 11ProHgb 11ProHdb 4.91360e+05 3.72387e+06 box sum
174 180 2.14072 3.54583 11ProHgb 11ProHda 5.67583e+05 4.42757e+06 box sum
175 203 2.13832 2.37446 11ProHgb 11ProHbb 5.26783e+05 4.00793e+06 box sum
176 234 9.17044 3.80006 12GlyH 12GlyHaa 8.31420e+04 6.74785e+05 box sum
177 236 9.16525 4.43598 12GlyH 11ProHa 9.09090e+04 7.28624e+05 box sum
178 273 9.17187 4.24667 12GlyH 12GlyHab 4.25180e+04 3.39716e+05 box sum
179 7 3.81556 4.23908 12GlyHaa 12GlyHab 2.02102e+06 1.29729e+07 box sum
180 327 4.23027 4.43849 12GlyHab 11ProHa 4.96580e+04 3.73985e+05 box sum
181 16 8.00285 5.18479 13HisH 13HisHa 1.66596e+05 1.26285e+06 box sum
182 49 7.99895 3.29424 13HisH 13HisHbb 3.11928e+05 2.46953e+06 box sum
183 64 8.00118 2.84228 13HisH (13His/9Cys)Hb* 1.21486e+05 9.89157e+05 box sum
184 235 7.99925 3.79910 13HisH 12GlyHaa 1.01192e+05 8.14530e+05 box sum
185 243 7.99127 0.88301 13HisH 14ValHgb* 7.15840e+04 5.90811e+05 box sum
186 268 8.00211 4.43518 13HisH 11ProHa 6.08220e+04 4.78748e+05 box sum
187 269 8.00129 4.24094 13HisH 12GlyHab 7.99240e+04 6.51705e+05 box sum
188 121 2.84852 5.17876 13HisHba 13HisHa 4.80102e+05 3.40362e+06 box sum
189 188 2.84808 3.29425 13HisHba 13HisHbb 3.52556e+06 2.47978e+07 box sum
190 321 2.84932 4.95615 13HisHba 20CysHa 1.05660e+05 7.44128e+05 box sum
191 339 2.84398 8.17672 13HisHba 23AlaH 4.05110e+04 3.12873e+05 box sum
192 380 2.85194 3.01824 13HisHba 20CysHbb 3.12048e+05 2.34735e+06 box sum
193 12 3.29433 5.18265 13HisHbb 13HisHa 2.78013e+05 2.09387e+06 box sum
194 375 3.29345 4.95431 13HisHbb 20CysHa 3.50470e+04 2.55278e+05 box sum
195 21 6.57379 4.80254 13HisHd2 21ArgHa 1.18864e+05 9.17717e+05 box sum
196 65 6.57397 2.83616 13HisHd2 13HisHba 1.82775e+05 1.40800e+06 box sum
197 248 6.57562 2.70558 13HisHd2 20CysHba 9.26820e+04 7.29731e+05 box sum
198 266 6.57634 3.29246 13HisHd2 13HisHbb 6.63470e+04 5.14693e+05 box sum
199 267 6.57527 3.01723 13HisHd2 20CysHbb 5.62660e+04 4.24737e+05 box sum
200 274 6.57286 0.78402 13HisHd2 (22Ile/14Val)(Hg2*/Hga*) 4.75670e+04 3.83559e+05 box sum
201 285 6.57459 5.18267 13HisHd2 13HisHa 5.12630e+04 3.86410e+05 box sum
202 356 6.57443 8.43537 13HisHd2 22IleH 3.50630e+04 2.72271e+05 box sum
203 14 9.26624 5.18396 14ValH 13HisHa 1.10090e+06 8.40532e+06 box sum
204 30 9.26547 4.59497 14ValH 14ValHa 3.09697e+05 2.35326e+06 box sum
205 48 9.26655 3.29471 14ValH 13HisHbb 1.60065e+05 1.23764e+06 box sum
206 52 9.26651 2.83764 14ValH 13HisHba 5.27675e+05 4.04117e+06 box sum
207 55 9.26616 2.12322 14ValH 14ValHb 1.22788e+05 9.29978e+05 box sum
208 94 9.26644 0.88411 14ValH 14ValHgb* 3.34121e+05 2.57799e+06 box sum
209 100 9.26624 0.78295 14ValH 14ValHga* 6.62082e+05 5.01335e+06 box sum
210 237 9.26594 4.95566 14ValH 20CysHa 7.06640e+04 5.29692e+05 box sum
211 239 9.26811 1.69062 14ValH 21Arg(Hg*/Hba) 9.57240e+04 7.39278e+05 box sum
212 240 9.26595 1.27082 14ValH 23AlaHb* 7.72870e+04 5.80763e+05 box sum
213 250 9.26489 8.44510 14ValH (15Val/22Ile)H 8.72270e+04 6.79732e+05 box sum
214 272 9.26773 4.27293 14ValH 15ValHa 4.41550e+04 3.30148e+05 box sum
215 275 9.26876 1.90253 14ValH 21ArgHbb 4.21230e+04 3.27438e+05 box sum
216 286 9.26258 8.17377 14ValH 23AlaH 8.11820e+04 6.12895e+05 box sum
217 343 9.26371 2.71341 14ValH 20CysHba 3.58790e+04 2.81032e+05 box sum
218 354 9.26659 8.00088 14ValH 13HisH 3.39840e+04 2.67279e+05 box sum
219 141 2.12347 4.59451 14ValHb 14ValHa 5.88883e+05 4.58279e+06 box sum
220 143 0.78378 4.59589 14ValHga* 14ValHa 3.07151e+05 2.13314e+06 box sum
221 214 0.78458 2.12284 14ValHga* 14ValHb 1.53978e+06 1.02530e+07 box sum
222 224 0.78392 1.68866 14ValHga* 21Arg(Hg*/Hba) 1.84620e+05 1.22738e+06 box sum
223 297 0.78421 1.26963 14ValHga* 23AlaHb* 2.06888e+05 1.28245e+06 box sum
224 142 0.88216 4.59402 14ValHgb* 14ValHa 7.14103e+05 5.10135e+06 box sum
225 213 0.88805 2.12235 14ValHgb* 14ValHb 1.31516e+06 8.07516e+06 box sum
226 296 0.88389 1.28319 14ValHgb* 23AlaHb* 3.87890e+04 -1.98977e+05 box sum
227 320 0.88222 5.18665 14ValHgb* 13HisHa 5.62300e+04 3.58066e+05 box sum
228 31 8.45081 4.59810 15ValH 14ValHa 1.62829e+06 1.19960e+07 box sum
229 38 8.44901 4.28088 15ValH 15ValHa 3.98113e+05 2.93520e+06 box sum
230 73 8.45016 2.12371 15ValH 14ValHb 8.68750e+05 6.42033e+06 box sum
231 74 8.45008 1.94713 15ValH 15ValHb 9.53670e+05 7.17979e+06 box sum
232 92 8.45012 0.90333 15ValH 15ValHgb* 1.05512e+06 7.90018e+06 box sum
233 241 8.45473 1.33847 15ValH 5AlaHb* 7.42850e+04 5.42580e+05 box sum
234 1 4.27825 4.95662 15ValHa 20CysHa 5.29076e+05 4.08142e+06 box sum
235 326 4.28000 4.59577 15ValHa 14ValHa 4.40600e+04 3.28117e+05 box sum
236 154 1.95392 4.27753 15ValHb 15ValHa 1.54385e+05 1.23910e+06 box sum
237 315 1.95226 4.59383 15ValHb 14ValHa 5.16880e+04 3.95473e+05 box sum
238 155 0.76344 4.27803 15ValHga* 15ValHa 7.00760e+05 4.97570e+06 box sum
239 184 0.76389 3.53777 15ValHga* 18GlyHaa 4.13483e+05 3.08120e+06 box sum
240 217 0.77156 1.94781 15ValHga* 15ValHb 1.36742e+06 8.00806e+06 box sum
241 308 0.76563 4.95833 15ValHga* 20CysHa 5.94860e+04 4.32457e+05 box sum
242 309 0.75290 4.77179 15ValHga* 19ArgHa 8.25580e+04 5.22299e+05 box sum
243 384 0.76418 3.85902 15ValHga* 17LysHa 3.30480e+04 2.10520e+05 box sum
244 387 0.76587 0.90861 15ValHga* 15ValHgb* 1.92500e+06 1.41256e+07 box sum
245 216 0.91433 1.94856 15ValHgb* 15ValHb 1.84165e+06 1.15545e+07 box sum
246 37 9.02833 4.27771 16ValH 15ValHa 1.77324e+06 1.41371e+07 box sum
247 57 9.02835 1.85150 16ValH 16ValHb 5.05770e+05 4.08805e+06 box sum
248 60 9.03163 1.68622 16ValH 21ArgHba 1.32729e+05 1.10052e+06 box sum
249 91 9.02792 0.90439 16ValH 16ValHga* 5.21318e+05 4.20063e+06 box sum
250 102 9.02808 0.76459 16ValH 15ValHga* 3.83282e+05 3.06495e+06 box sum
251 249 9.02946 4.95725 16ValH 20CysHa 1.07579e+05 8.58302e+05 box sum
252 251 9.02638 8.44529 16ValH 15ValH 7.68720e+04 5.99060e+05 box sum
253 287 9.03587 8.15436 16ValH 18GlyH 5.43670e+04 4.06813e+05 box sum
254 360 9.02842 1.94479 16ValH 15ValHb 6.67660e+04 5.41980e+05 box sum
255 364 9.01815 4.77765 16ValH 19ArgHa 3.86630e+04 2.77049e+05 box sum
256 109 4.19541 9.02867 16ValHa 16ValH 2.73147e+05 2.03492e+06 box sum
257 373 4.19207 8.15511 16ValHa 18GlyH 7.22410e+04 5.70285e+05 box sum
258 156 1.85939 4.19551 16ValHb 16ValHa 1.91634e+05 1.50249e+06 box sum
259 126 0.90877 4.95569 16ValHga* 20CysHa 1.64143e+05 1.14092e+06 box sum
260 197 0.90196 3.18617 16ValHga* 21ArgHd* 1.58600e+05 1.24984e+06 box sum
261 223 0.89853 1.69011 16ValHga* 21ArgHba 4.16263e+05 3.12775e+06 box sum
262 157 0.92221 4.19354 16ValHgb* 16ValHa 9.66743e+05 7.24644e+06 box sum
263 229 0.92323 1.46042 16ValHgb* 17LysHg* 3.67574e+05 2.55924e+06 box sum
264 292 0.92138 3.00246 16ValHgb* 17LysHe* 6.47630e+04 4.61942e+05 box sum
265 312 0.92223 3.85362 16ValHgb* 17LysHa 5.01610e+04 3.20968e+05 box sum
266 39 9.57533 4.19399 17LysH 16ValHa 7.12067e+05 5.18934e+06 box sum
267 45 9.57517 3.85407 17LysH 17LysHa 5.75535e+05 4.27133e+06 box sum
268 62 9.57448 1.44941 17LysH 17LysHg* 1.74740e+05 1.34621e+06 box sum
269 89 9.57477 0.91510 17LysH 16ValHgb* 2.52418e+05 1.90687e+06 box sum
270 105 9.57577 8.15172 17LysH 18GlyH 1.40654e+05 1.05527e+06 box sum
271 256 9.57509 1.77740 17LysH 17LysHba 8.77540e+04 6.69948e+05 box sum
272 257 9.57756 2.01042 17LysH 17LysHbb 5.85710e+04 4.57283e+05 box sum
273 282 9.57231 0.76622 17LysH 15ValHga* 7.42950e+04 5.61047e+05 box sum
274 361 9.57512 9.03315 17LysH 16ValH 4.20140e+04 3.12731e+05 box sum
275 365 9.57250 3.54015 17LysH 18GlyHaa 3.13530e+04 2.21822e+05 box sum
276 114 3.85558 8.15215 17LysHa 18GlyH 4.37775e+05 3.49745e+06 box sum
277 164 1.79282 3.85525 17LysHba 17LysHa 1.56693e+05 1.16893e+06 box sum
278 212 1.79087 2.00534 17LysHba 17LysHbb 2.94831e+06 2.25412e+07 box sum
279 163 2.01275 3.84806 17LysHbb 17LysHa 5.06990e+05 4.08563e+06 box sum
280 165 1.44409 3.85427 17LysHg* 17LysHa 2.31881e+05 1.87238e+06 box sum
281 215 1.45653 2.00455 17LysHg* 17LysHbb 5.39865e+05 4.08090e+06 box sum
282 225 1.44322 1.66200 17LysHg* 17LysHda 6.85085e+05 5.33511e+06 box sum
283 43 8.15150 4.11933 18GlyH 18GlyHab 6.02076e+05 4.48673e+06 box sum
284 103 8.15257 0.76423 18GlyH 15ValHga* 6.69463e+05 5.14307e+06 box sum
285 255 8.15203 2.00752 18GlyH 17LysHbb 1.00345e+05 7.61684e+05 box sum
286 352 8.15454 1.43333 18GlyH 17LysHg* 5.47440e+04 4.09000e+05 box sum
287 358 8.15198 0.90609 18GlyH (16Val/15Val)(Hg*/Hgb*) 1.65834e+05 1.32697e+06 box sum
288 372 8.15231 7.76724 18GlyH 19ArgH 3.42444e+05 2.56421e+06 box sum
289 10 3.55098 4.11898 18GlyHaa 18GlyHab 3.04519e+06 2.22222e+07 box sum
290 115 3.55260 8.15400 18GlyHaa 18GlyH 6.94618e+05 5.11047e+06 box sum
291 26 7.76478 4.76254 19ArgH 19ArgHa 3.46297e+05 2.46690e+06 box sum
292 44 7.76715 4.11933 19ArgH 18GlyHab 2.15377e+05 1.66661e+06 box sum
293 46 7.76825 3.53869 19ArgH 18GlyHaa 2.16226e+05 1.67889e+06 box sum
294 80 7.76791 1.75128 19ArgH 19ArgHba 6.04170e+05 4.64390e+06 box sum
295 83 7.76704 1.64690 19ArgH 19ArgHg* 3.35864e+05 2.61920e+06 box sum
296 93 7.76687 0.90777 19ArgH 16ValHga* 1.71653e+05 1.34346e+06 box sum
297 104 7.76747 0.76361 19ArgH 15ValHga* 3.77931e+05 2.86830e+06 box sum
298 108 7.76800 9.02886 19ArgH 16ValH 3.69181e+05 2.81278e+06 box sum
299 238 7.76816 4.27928 19ArgH 15ValHa 9.74370e+04 7.34688e+05 box sum
300 263 7.76809 3.22493 19ArgH 19ArgHd* 6.70300e+04 5.23245e+05 box sum
301 276 7.76924 2.00694 19ArgH 17LysHbb 4.36000e+04 3.44914e+05 box sum
302 283 7.76580 3.85400 19ArgH 17LysHa 5.72760e+04 4.37609e+05 box sum
303 132 1.75254 4.76439 19ArgHba 19ArgHa 1.89365e+05 1.53728e+06 box sum
304 335 1.75512 8.91734 19ArgHba 20CysH 8.60750e+04 6.67424e+05 box sum
305 116 1.85835 7.76933 19ArgHbb 19ArgH 1.80977e+05 1.38651e+06 box sum
306 131 1.85742 4.76647 19ArgHbb 19ArgHa 2.46776e+05 1.96502e+06 box sum
307 194 1.85499 3.20868 19ArgHbb 19ArgHd* 2.65092e+05 2.19963e+06 box sum
308 306 3.20553 4.79686 19ArgHd* 21ArgHa 1.10577e+05 8.70973e+05 box sum
309 24 7.17521 4.77075 19ArgHe 19ArgHa 6.30942e+05 4.97513e+06 box sum
310 346 7.17569 1.86636 19ArgHe 19ArgHbb 3.37640e+04 2.81228e+05 box sum
311 133 1.65382 4.76917 19ArgHg* 19ArgHa 2.03964e+05 1.68780e+06 box sum
312 190 1.65308 3.22147 19ArgHg* 19ArgHd* 7.04329e+05 5.46597e+06 box sum
313 19 8.91726 4.95668 20CysH 20CysHa 2.50516e+05 1.80054e+06 box sum
314 22 8.91757 4.76693 20CysH 19ArgHa 1.15260e+06 8.34862e+06 box sum
315 54 8.91747 2.70665 20CysH 20CysHba 2.24143e+05 1.63681e+06 box sum
316 58 8.91797 1.86436 20CysH 19ArgHbb 3.55556e+05 2.61183e+06 box sum
317 61 8.91700 1.65012 20CysH 19ArgHg* 1.39973e+05 1.01936e+06 box sum
318 265 8.91600 3.22280 20CysH 19ArgHd* 5.97130e+04 4.45587e+05 box sum
319 344 8.91706 2.84786 20CysH (13His/9Cys)Hb* 3.29820e+04 2.56350e+05 box sum
320 349 8.91853 4.27631 20CysH 15ValHa 4.45030e+04 3.40288e+05 box sum
321 371 8.91811 7.77456 20CysH 19ArgH 5.75520e+04 4.07774e+05 box sum
322 128 2.71751 4.95549 20CysHba 20CysHa 1.99261e+05 1.53819e+06 box sum
323 191 2.71743 3.02200 20CysHba 20CysHbb 1.87283e+06 1.43551e+07 box sum
324 192 2.71676 2.86393 20CysHba 9CysHbb 3.40179e+05 2.57980e+06 box sum
325 110 3.02179 8.91772 20CysHbb 20CysH 2.60844e+05 1.89526e+06 box sum
326 127 3.02162 4.95481 20CysHbb 20CysHa 2.20997e+05 1.69443e+06 box sum
327 323 3.01936 5.11582 20CysHbb 9CysHa 4.52560e+04 3.30825e+05 box sum
328 130 1.69143 4.80189 21Arg(Hga/Hba) 21ArgHa 4.04831e+05 3.25380e+06 box sum
329 318 1.68892 4.95522 21Arg(Hgb/Hba) 20CysHa 6.46350e+04 4.82162e+05 box sum
330 18 9.62914 4.95630 21ArgH 20CysHa 1.67043e+06 1.25999e+07 box sum
331 20 9.62662 4.79896 21ArgH 21ArgHa 3.15093e+05 2.44444e+06 box sum
332 36 9.62978 4.27856 21ArgH 15ValHa 1.55952e+05 1.17672e+06 box sum
333 51 9.62899 2.83727 21ArgH 13HisHba 2.23176e+05 1.71252e+06 box sum
334 53 9.62995 2.70687 21ArgH 20CysHba 1.41309e+05 1.09612e+06 box sum
335 56 9.62911 1.90464 21ArgH 21ArgHbb 2.45011e+05 1.89673e+06 box sum
336 59 9.62918 1.69229 21ArgH 21ArgHba 6.56899e+05 5.07806e+06 box sum
337 90 9.62976 0.89809 21ArgH 16ValHga* 1.97916e+05 1.52019e+06 box sum
338 99 9.62806 0.78013 21ArgH 14ValHga* 1.40421e+05 1.05897e+06 box sum
339 107 9.62928 9.26643 21ArgH 14ValH 4.07582e+05 3.07829e+06 box sum
340 233 9.62851 3.01915 21ArgH 20CysHbb 9.18130e+04 6.97695e+05 box sum
341 252 9.62857 9.02893 21ArgH 16ValH 7.98260e+04 5.96807e+05 box sum
342 258 9.62710 3.29563 21ArgH 13HisHbb 6.20660e+04 4.50209e+05 box sum
343 281 9.62625 3.18390 21ArgH 21ArgHd* 4.05440e+04 3.32602e+05 box sum
344 284 9.62685 5.18139 21ArgH 13HisHa 4.71750e+04 3.45085e+05 box sum
345 288 9.63229 8.44565 21ArgH (15Val/22Ile)H 6.45050e+04 5.03179e+05 box sum
346 342 9.62726 3.52752 21ArgH 22IleHa 4.16930e+04 3.09877e+05 box sum
347 355 9.63118 8.91769 21ArgH 20CysH 3.91420e+04 3.00692e+05 box sum
348 366 9.63235 4.59102 21ArgH 14ValHa 3.29870e+04 2.51661e+05 box sum
349 129 1.90240 4.80241 21ArgHbb 21ArgHa 3.16681e+05 2.48265e+06 box sum
350 195 1.90123 3.18207 21ArgHbb 21ArgHd* 1.71381e+05 1.38228e+06 box sum
351 307 3.15871 4.79402 21ArgHd* 21ArgHa 1.12050e+05 8.64053e+05 box sum
352 245 7.16979 0.88694 21ArgHe 14ValHgb* 6.88060e+04 5.69346e+05 box sum
353 347 7.17879 1.68340 21ArgHe 21ArgHg* 3.96210e+04 3.03316e+05 box sum
354 199 1.68841 3.16850 21ArgHg* 21ArgHd* 7.95727e+05 6.26372e+06 box sum
355 82 8.43314 1.69627 22IleH 21ArgHg* 1.56860e+05 1.30915e+06 box sum
356 242 8.43742 1.20790 22IleH 22IleHg1b 1.06156e+05 8.50878e+05 box sum
357 280 8.42174 3.16836 22IleH 21ArgHd* 4.04070e+04 3.28845e+05 box sum
358 11 3.52113 5.18453 22IleHa 13HisHa 8.44081e+05 6.21233e+06 box sum
359 112 3.52177 8.43559 22IleHa 22IleH 2.86945e+05 2.15525e+06 box sum
360 324 3.51787 4.79380 22IleHa 21ArgHa 5.60960e+04 4.11404e+05 box sum
361 329 3.52114 6.57318 22IleHa 13HisHd2 6.81400e+04 4.97824e+05 box sum
362 341 3.52136 9.26852 22IleHa 14ValH 1.03408e+05 7.48836e+05 box sum
363 119 1.53801 8.43482 22IleHb 22IleH 3.66551e+05 2.94919e+06 box sum
364 185 1.53972 3.51978 22IleHb 22IleHa 2.53664e+05 2.02311e+06 box sum
365 332 1.54213 8.17314 22IleHb 23AlaH 5.60670e+04 4.40804e+05 box sum
366 187 0.70699 3.52059 22IleHd1* 22IleHa 1.73230e+05 1.24006e+06 box sum
367 226 0.70763 1.53700 22IleHd1* 22IleHb 2.80455e+05 2.02054e+06 box sum
368 298 0.70185 1.20616 22IleHd1* 22IleHg1b 2.85518e+06 1.76460e+07 box sum
369 333 0.70903 8.17439 22IleHd1* 23AlaH 6.35970e+04 4.46053e+05 box sum
370 311 0.86658 3.52071 22IleHg1a 22IleHa 6.97520e+04 5.36941e+05 box sum
371 301 1.20621 3.52068 22IleHg1b 22IleHa 7.61300e+04 5.97872e+05 box sum
372 374 1.20622 8.17304 22IleHg1b 23AlaH 4.07410e+04 3.17195e+05 box sum
373 159 0.78275 4.15156 22IleHg2* 23AlaHa 2.68140e+05 1.99049e+06 box sum
374 186 0.78816 3.52206 22IleHg2* 22IleHa 4.32093e+05 3.34026e+06 box sum
375 227 0.77193 1.53536 22IleHg2* 22IleHb 3.73915e+05 1.78862e+06 box sum
376 15 8.17385 5.18400 23AlaH 13HisHa 5.75274e+05 4.03470e+06 box sum
377 40 8.17131 4.14209 23AlaH 23AlaHa 4.87851e+05 3.87820e+06 box sum
378 47 8.17195 3.52377 23AlaH 22IleHa 2.00207e+06 1.51764e+07 box sum
379 87 8.17391 1.27278 23AlaH 23AlaHb* 8.84437e+05 6.13767e+06 box sum
380 97 8.17328 0.88258 23AlaH 14ValHgb* 2.48787e+05 1.89263e+06 box sum
381 357 8.17183 0.78553 23AlaH (22Ile/14Val)(Hg2*/Hga*) 4.75587e+05 3.74362e+06 box sum
382 158 1.27425 4.14902 23AlaHb* 23AlaHa 5.95058e+05 4.35848e+06 box sum
383 300 1.27687 3.53069 23AlaHb* 22IleHa 8.20630e+04 6.16026e+05 box sum
384 319 1.27236 5.18164 23AlaHb* 13HisHa 9.29820e+04 6.59367e+05 box sum
385 386 1.28704 1.52905 23AlaHb* 22IleHb 1.40887e+05 7.84371e+05 box sum
386 362 8.45140 3.76772 {*}(He1/H/H) (10Pro/6Pro)Hdb 4.35410e+04 3.29400e+05 box sum
;
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
2 . . H 1 'all H' . . 9803.922 . . . . . . . 21098 1
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
2 $CCPNMR . . 21098 1
stop_
save_