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 30717
_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 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_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
Number # Position F1 Position F2 Assign F1 Assign F2 Height Volume Line Width F1 (Hz) Line Width F2 (Hz) Merit Details Fit Method Vol. Method
1 31 8.36178 4.22357 6AsnH 6AsnHa 2.04766e+05 1.52958e+06 29.18206 42.11101 1.00000 None parabolic box sum
2 32 8.36462 2.77226 6AsnH 6AsnHbb 2.15390e+05 1.64255e+06 29.31873 96.69064 1.00000 None parabolic box sum
3 33 2.76987 4.22614 6AsnHbb 6AsnHa 3.71331e+05 2.70349e+06 31.87777 38.99455 1.00000 None parabolic box sum
4 34 2.69681 4.22608 6AsnHba 6AsnHa 4.48939e+05 3.12677e+06 30.41839 39.61989 1.00000 None parabolic box sum
5 35 4.22282 2.77219 6AsnHa 6AsnHbb 1.05312e+05 7.30106e+05 23.22625 98.40857 1.00000 None parabolic box sum
6 36 4.22316 2.68819 6AsnHa 6AsnHba 1.06046e+05 7.44344e+05 23.07957 98.11148 1.00000 None parabolic box sum
7 37 8.31250 4.09891 3GlyH 3GlyHa* 1.35166e+05 1.03069e+06 55.03173 42.28861 1.00000 None parabolic box sum
8 49 8.26983 4.10377 5PheH 5PheHa 1.11372e+05 9.00676e+05 124.87767 39.73287 1.00000 None parabolic box sum
9 50 8.27070 3.08207 5PheH 5PheHb* 2.93860e+05 2.32719e+06 50.33810 46.62227 1.00000 None parabolic box sum
10 51 3.08201 4.10358 5PheHb* 5PheHa 3.19901e+05 2.60915e+06 29.56530 156.96944 1.00000 None parabolic box sum
11 52 4.10288 3.08129 5PheHa 5PheHb* 1.50266e+05 1.29268e+06 40.17400 47.18856 1.00000 None parabolic box sum
12 54 8.20196 3.44201 9IleH 9IleHa 2.53761e+05 1.70295e+06 23.69471 42.85118 1.00000 None parabolic box sum
13 55 8.20191 1.76142 9IleH 9IleHb 4.59150e+05 3.11852e+06 23.18341 51.81792 1.00000 None parabolic box sum
14 56 1.76149 3.44215 9IleHb 9IleHa 3.15250e+05 2.52976e+06 40.53861 81.93593 1.00000 None parabolic box sum
15 57 3.44180 1.76192 9IleHa 9IleHb 4.60938e+05 3.42553e+06 29.94528 47.00073 1.00000 None parabolic box sum
16 58 0.72802 3.44419 9IleHg2* 9IleHa 1.17954e+06 7.58428e+06 20.01598 85.84650 1.00000 None parabolic box sum
17 59 0.56241 3.43938 9IleHd1* 9IleHa 4.67584e+05 3.11951e+06 23.10518 39.23678 1.00000 None parabolic box sum
18 60 0.72334 1.74704 9IleHg2* 9IleHb 2.26443e+06 1.60498e+07 29.09591 58.46695 1.00000 None parabolic box sum
19 61 0.56434 1.76118 9IleHd1* 9IleHb 5.58383e+05 3.90358e+06 23.51915 45.36602 1.00000 None parabolic box sum
20 62 0.56406 0.72185 9IleHd1* 9IleHg2* 1.70780e+06 1.21472e+07 27.21418 41.23972 1.00000 None parabolic box sum
21 63 0.72566 0.56536 9IleHg2* 9IleHd1* 1.80672e+06 1.20016e+07 22.40436 272.32860 1.00000 None parabolic box sum
22 64 1.75058 0.72513 9IleHb 9IleHg2* 1.33336e+06 1.13116e+07 60.62910 44.48450 1.00000 None parabolic box sum
23 65 1.76504 0.56097 9IleHb 9IleHd1* 3.22334e+05 2.53601e+06 41.43780 39.25863 1.00000 None parabolic box sum
24 66 3.44105 0.72580 9IleHa 9IleHg2* 1.04450e+06 7.41293e+06 27.84841 38.57332 1.00000 None parabolic box sum
25 68 8.11801 3.50518 12ValH 12ValHa 3.32010e+05 2.49519e+06 44.24038 57.70957 1.00000 None parabolic box sum
26 69 8.12142 2.14216 12ValH 12ValHb 3.48179e+05 2.46810e+06 26.86493 40.98633 1.00000 None parabolic box sum
27 70 8.11975 0.85318 12ValH 12ValHga* 3.15764e+05 2.45670e+06 36.77479 95.75937 1.00000 None parabolic box sum
28 71 2.14289 3.49749 12ValHb 12ValHa 2.69392e+05 2.14403e+06 37.41402 74.26915 1.00000 None parabolic box sum
29 73 0.85531 2.14732 12ValHga* 12ValHb 1.14874e+06 7.28877e+06 19.04601 43.42863 1.00000 None parabolic box sum
30 74 3.49728 2.14469 12ValHa 12ValHb 4.06659e+05 3.09401e+06 61.48452 43.01252 1.00000 None parabolic box sum
31 75 2.13861 0.85828 12ValHb 12ValHga* 6.28466e+05 4.91013e+06 42.96750 85.73212 1.00000 None parabolic box sum
32 78 0.93625 2.14654 12ValHgb* 12ValHb 1.24511e+06 8.32841e+06 19.61878 43.69411 1.00000 None parabolic box sum
33 81 2.14248 0.93555 12ValHb 12ValHgb* 7.35576e+05 5.77131e+06 41.82942 81.58118 1.00000 None parabolic box sum
34 83 8.07932 3.51962 8IleH 8IleHa 2.26542e+05 1.84394e+06 58.30498 42.19098 1.00000 None parabolic box sum
35 84 8.07718 1.90665 8IleH 8IleHb 2.50216e+05 2.16332e+06 61.95589 59.48283 1.00000 None parabolic box sum
36 86 1.90083 3.51857 8IleHb 8IleHa 3.67030e+05 3.01546e+06 67.45057 41.94456 1.00000 None parabolic box sum
37 87 0.72817 3.51214 8IleHg2* 8IleHa 1.40162e+06 9.86865e+06 32.18278 80.91819 1.00000 None parabolic box sum
38 88 3.51931 1.90174 8IleHa 8IleHb 5.99685e+05 4.76295e+06 26.54176 67.13333 1.00000 None parabolic box sum
39 89 0.72521 1.90320 8IleHg2* 8IleHb 1.43155e+06 1.00746e+07 29.93690 58.17358 1.00000 None parabolic box sum
40 90 1.90187 0.72199 8IleHb 8IleHg2* 8.98288e+05 7.35373e+06 62.55461 43.45932 1.00000 None parabolic box sum
41 91 3.51222 0.72840 8IleHa 8IleHg2* 1.41517e+06 1.05610e+07 30.58882 45.50364 1.00000 None parabolic box sum
42 93 8.02712 3.97237 4LeuH 4LeuHa 1.30785e+05 1.03609e+06 80.63554 117.01898 1.00000 None parabolic box sum
43 94 8.02712 1.58300 4LeuH 4LeuHg 2.52303e+05 1.97793e+06 42.89811 45.70077 1.00000 None parabolic box sum
44 97 3.96466 1.58594 4LeuHa 4LeuHg 6.21937e+05 5.17936e+06 42.04223 50.28875 1.00000 None parabolic box sum
45 98 7.92173 4.47100 17AsnH 17AsnHa 5.94410e+05 3.84076e+06 20.08036 35.65957 1.00000 None parabolic box sum
46 99 7.92265 2.73356 17AsnH 17AsnHbb 5.04704e+05 3.44638e+06 20.31284 71.02344 1.00000 None parabolic box sum
47 100 7.92298 2.69562 17AsnH 17AsnHba 5.95188e+05 4.04440e+06 19.85801 65.26383 1.00000 None parabolic box sum
48 101 2.73301 4.46998 17AsnHbb 17AsnHa 6.57598e+05 4.35076e+06 51.29585 35.70792 1.00000 None parabolic box sum
49 102 2.69663 4.47093 17AsnHba 17AsnHa 5.50265e+05 4.16365e+06 56.22441 36.26352 1.00000 None parabolic box sum
50 103 7.87617 4.16866 16PheH 16PheHa 3.76523e+05 2.79632e+06 49.76080 37.51094 1.00000 None parabolic box sum
51 105 7.87395 3.11367 16PheH 16PheHbb 3.72778e+05 2.80210e+06 55.08820 40.90962 1.00000 None parabolic box sum
52 106 7.87332 2.87627 16PheH 16PheHba 4.26861e+05 3.20544e+06 48.06928 41.14301 1.00000 None parabolic box sum
53 109 3.10913 4.17179 16PheHbb 16PheHa 5.91236e+05 4.18108e+06 30.75600 68.91264 1.00000 None parabolic box sum
54 111 2.88390 4.17196 16PheHba 16PheHa 4.71922e+05 3.64482e+06 31.48895 36.99161 1.00000 None parabolic box sum
55 112 3.11272 2.87644 16PheHbb 16PheHba 1.03412e+06 8.95655e+06 34.40212 41.07420 1.00000 None parabolic box sum
56 115 4.16865 2.87644 16PheHa 16PheHba 1.73032e+05 1.38070e+06 27.32268 43.12038 1.00000 None parabolic box sum
57 116 7.82054 3.95281 15LeuH 15LeuHa 5.65074e+05 4.01964e+06 24.80228 80.56112 1.00000 None parabolic box sum
58 120 7.82009 1.75926 15LeuH 15LeuHb* 1.16392e+06 9.02598e+06 33.62820 85.44991 1.00000 None parabolic box sum
59 121 7.81982 1.32012 15LeuH 15LeuHg 4.51531e+05 3.15192e+06 24.92359 49.04923 1.00000 None parabolic box sum
60 132 1.75987 1.32326 15LeuHb3 15LeuHg 8.08246e+05 6.16840e+06 37.02566 49.06829 1.00000 None parabolic box sum
61 136 3.94704 1.31622 15LeuHa 15LeuHg 4.87131e+05 3.47879e+06 25.70450 45.37252 1.00000 None parabolic box sum
62 137 3.94744 1.76060 15LeuHa 15LeuHb3 4.79234e+05 3.71985e+06 80.10445 52.94631 1.00000 None parabolic box sum
63 144 1.32262 1.76093 15LeuHg 15LeuHb3 7.34992e+05 5.89125e+06 51.04486 43.93541 1.00000 None parabolic box sum
64 151 7.82000 3.89580 7ArgH 7ArgHa 2.16714e+05 2.00625e+06 47.18686 94.39014 1.00000 None parabolic box sum
65 154 3.89064 1.74535 7ArgHa 7ArgHba 3.40878e+05 2.79515e+06 62.71340 166.88417 1.00000 None parabolic box sum
66 155 7.50249 3.99604 14LysH 14LysHa 2.25833e+05 2.28977e+06 59.29172 38.40594 1.00000 None parabolic box sum
67 156 7.50300 1.85291 14LysH 14LysHb3 6.84790e+05 5.43748e+06 39.63290 43.49465 1.00000 None parabolic box sum
68 157 7.50238 1.59427 14LysH 14LysHd2 2.16761e+05 1.69440e+06 39.60752 56.45564 1.00000 None parabolic box sum
69 158 7.50349 1.48476 14LysH 14LysHgb 2.18024e+05 1.47184e+06 25.39251 119.27624 1.00000 None parabolic box sum
70 159 1.85346 3.99595 14LysHb* 14LysHa 1.28368e+06 9.89572e+06 40.18936 39.46832 1.00000 None parabolic box sum
71 160 1.59435 3.99595 14LysHd* 14LysHa 9.17459e+05 7.42911e+06 42.59543 48.85675 1.00000 None parabolic box sum
72 161 1.47599 3.99376 14LysHgb 14LysHa 4.18524e+05 3.37867e+06 189.85430 41.84320 1.00000 None parabolic box sum
73 163 1.48469 1.85176 14LysHgb 14LysHb* 5.73264e+05 4.67914e+06 183.86543 92.93024 1.00000 None parabolic box sum
74 164 1.85478 1.59361 14LysHb* 14LysHd* 6.86996e+05 5.53663e+06 350.62758 55.70431 1.00000 None parabolic box sum
75 165 1.84847 1.48449 14LysHb3 14LysHgb 5.13232e+05 4.17458e+06 95.88990 193.28736 1.00000 None parabolic box sum
76 166 3.99604 1.85217 14LysHa 14LysHb* 1.14537e+06 8.57398e+06 27.66913 50.53470 1.00000 None parabolic box sum
77 167 3.99355 1.59545 14LysHa 14LysHd* 7.00906e+05 5.55027e+06 42.64014 49.23241 1.00000 None parabolic box sum
78 170 7.47796 4.00518 11LysH 11LysHa 5.22718e+05 4.69503e+06 40.29018 39.31954 1.00000 None parabolic box sum
79 171 7.47763 1.92178 11LysH 11LysHb3 4.33174e+05 3.06816e+06 25.82697 157.88861 1.00000 None parabolic box sum
80 173 3.99657 1.93247 11LysHa 11LysHb3 3.99566e+05 3.35037e+06 34.96930 142.92050 1.00000 None parabolic box sum
81 179 8.12020 0.93602 12ValH 12ValHgb* 6.95460e+05 5.27106e+06 37.71367 39.84817 1.00000 None parabolic box sum
82 180 1.95715 1.58535 4LeuHb3 4LeuHg 3.08354e+05 2.01682e+06 379.28298 92.43137 1.00000 None parabolic box sum
83 181 1.58582 1.95238 4LeuHg 4LeuHb3 3.59134e+05 2.96850e+06 93.10339 413.60835 1.00000 None parabolic box sum
84 182 3.97697 1.94678 4LeuHa 4LeuHb3 2.19312e+05 2.00286e+06 43.52583 168.76948 1.00000 None parabolic box sum
85 183 1.95850 3.97799 4LeuHb3 4LeuHa 2.47657e+05 1.92779e+06 167.65157 42.61128 1.00000 None parabolic box sum
86 189 3.09276 1.93777 7ArgHd* 11LysHb* 4.33189e+05 3.19031e+06 26.68658 183.81431 1.00000 None parabolic box sum
87 205 1.75925 3.94851 15LeuHb3 15LeuHa 5.16908e+05 4.13508e+06 46.34215 86.21008 1.00000 None parabolic box sum
88 207 2.59826 4.28350 2MetHgb 2MetHa 1.74108e+05 1.40083e+06 55.20927 39.81609 1.00000 None parabolic box sum
89 208 2.56121 4.28258 2MetHga 2MetHa 1.64779e+05 1.27463e+06 56.40835 36.76472 1.00000 None parabolic box sum
90 209 2.01943 4.28721 2MetHb3 2MetHa 5.37322e+05 3.95611e+06 28.89894 37.58812 1.00000 None parabolic box sum
91 215 2.85557 3.99662 14LysHeb 14LysHa 1.60035e+05 1.14454e+06 23.56432 43.59136 1.00000 None parabolic box sum
92 216 2.76637 3.99595 14LysHea 14LysHa 1.63940e+05 1.40146e+06 80.60783 45.04986 1.00000 None parabolic box sum
93 217 1.85130 2.85891 14LysHb* 14LysHeb 1.39984e+05 1.09092e+06 37.44522 43.61740 1.00000 None parabolic box sum
94 218 1.60071 2.86004 14LysHd* 14LysHeb 5.42874e+05 4.07575e+06 31.61235 88.88903 1.00000 None parabolic box sum
95 219 1.48258 2.86112 14LysHgb 14LysHeb 1.94041e+05 1.49651e+06 36.60191 38.14232 1.00000 None parabolic box sum
96 220 1.85121 2.77527 14LysHb* 14LysHea 1.02952e+05 8.74387e+05 380.51559 137.58072 1.00000 None parabolic box sum
97 221 1.60907 2.77778 14LysHd* 14LysHea 6.35170e+05 4.86138e+06 34.29223 84.74507 1.00000 None parabolic box sum
98 222 1.48932 2.77697 14LysHgb 14LysHea 8.83990e+04 7.33877e+05 386.88676 128.56796 1.00000 None parabolic box sum
99 224 2.85682 1.85139 14LysHeb 14LysHb3 2.13487e+05 1.41071e+06 20.58642 43.71271 1.00000 None parabolic box sum
100 225 2.77403 1.60353 14LysHea 14LysHd* 7.94553e+05 5.74830e+06 27.47029 42.28536 1.00000 None parabolic box sum
101 226 2.85362 1.59386 14LysHeb 14LysHd* 8.11124e+05 4.91652e+06 17.27510 42.86792 1.00000 None parabolic box sum
102 227 2.85754 1.48238 14LysHeb 14LysHgb 2.75498e+05 1.78837e+06 19.80131 46.01832 1.00000 None parabolic box sum
103 228 3.99507 2.86422 14LysHa 14LysHeb 1.08682e+05 7.17484e+05 25.30543 40.84778 1.00000 None parabolic box sum
104 229 3.99527 2.77518 14LysHa 14LysHea 9.86120e+04 7.89258e+05 32.93436 95.11730 1.00000 None parabolic box sum
105 230 1.92762 4.00194 11LysHb3 11LysHa 4.54093e+05 3.82223e+06 126.61470 43.87172 1.00000 None parabolic box sum
106 234 2.87661 3.11593 16PheHba 16PheHbb 1.10955e+06 8.34980e+06 33.11504 40.44003 1.00000 None parabolic box sum
107 235 4.16357 3.11516 16PheHa 16PheHbb 2.37049e+05 1.71728e+06 27.18857 40.71295 1.00000 None parabolic box sum
108 242 2.02019 2.59951 2MetHb3 2MetHgb 6.50726e+05 5.00490e+06 29.35342 65.92915 1.00000 None parabolic box sum
109 243 2.01799 2.55961 2MetHb3 2MetHga 6.24791e+05 4.74195e+06 28.29218 67.38858 1.00000 None parabolic box sum
110 244 2.56478 2.01925 2MetHga 2MetHb3 5.83980e+05 4.61655e+06 56.15642 47.17880 1.00000 None parabolic box sum
111 245 2.59886 2.02242 2MetHgb 2MetHb3 5.54097e+05 4.80270e+06 57.91569 46.78453 1.00000 None parabolic box sum
112 246 4.28518 2.59805 2MetHa 2MetHgb 3.29395e+04 2.10846e+05 16.53517 82.25209 1.00000 None parabolic box sum
113 247 4.28561 2.56003 2MetHa 2MetHga 4.13900e+04 2.53996e+05 16.95659 66.51916 1.00000 None parabolic box sum
114 248 4.28563 2.01935 2MetHa 2MetHb3 9.69170e+04 6.94981e+05 22.47794 48.92835 1.00000 None parabolic box sum
115 249 8.30095 3.47994 13ValH 13ValHa 4.10268e+05 2.82452e+06 22.88586 44.99965 1.00000 None parabolic box sum
116 251 2.03401 3.47566 13ValHb 13ValHa 2.97047e+05 2.37050e+06 39.84990 42.10729 1.00000 None parabolic box sum
117 254 0.93886 2.03382 13ValHgb* 13ValHb 1.34919e+06 8.29961e+06 17.87767 45.64172 1.00000 None parabolic box sum
118 255 0.86441 2.03526 13ValHga* 13ValHb 1.23448e+06 7.65000e+06 18.38990 44.86668 1.00000 None parabolic box sum
119 256 2.03375 0.93828 13ValHb 13ValHgb* 6.97726e+05 5.52336e+06 44.40267 83.66781 1.00000 None parabolic box sum
120 257 2.03162 0.86314 13ValHb 13ValHga* 6.89560e+05 5.45748e+06 43.34468 83.99466 1.00000 None parabolic box sum
121 258 3.47450 2.03438 13ValHa 13ValHb 5.33307e+05 4.01126e+06 24.02673 44.54076 1.00000 None parabolic box sum
122 260 3.47301 0.86467 13ValHa 13ValHga* 1.62229e+06 1.23654e+07 41.75538 84.54468 1.00000 None parabolic box sum
123 261 8.30252 2.03351 13ValH 13ValHb 4.39292e+05 3.01696e+06 22.99203 43.03669 1.00000 None parabolic box sum
124 262 0.93366 3.50532 12ValHgb* 12ValHa 2.03102e+06 1.42633e+07 20.69585 58.13313 1.00000 None parabolic box sum
125 263 0.85317 3.50491 12ValHga* 12ValHa 1.63279e+06 1.09755e+07 20.14637 51.93229 1.00000 None parabolic box sum
126 265 3.50331 0.93837 12ValHa 12ValHgb* 1.64188e+06 1.25310e+07 60.02514 48.61033 1.00000 None parabolic box sum
127 266 3.50172 0.84621 12ValHa 12ValHga* 1.15640e+06 1.02412e+07 48.71003 91.33412 1.00000 None parabolic box sum
128 267 8.02726 0.72427 4LeuH 4LeuHd2* 1.50748e+05 1.38275e+06 191.61287 104.00034 1.00000 None parabolic box sum
129 268 0.71925 3.97140 4LeuHd2* 4LeuHa 1.03229e+06 7.82352e+06 37.28550 49.96655 1.00000 None parabolic box sum
130 270 1.59441 0.74643 4LeuHg 4LeuHd2* 1.27010e+06 1.03462e+07 59.09288 90.55536 1.00000 None parabolic box sum
131 271 3.94790 0.72915 4LeuHa 4LeuHd2* 8.68200e+05 6.71143e+06 30.71874 43.85544 1.00000 None parabolic box sum
132 275 7.80517 3.80512 10ArgH 10ArgHa 2.97884e+05 2.23473e+06 30.81909 40.95239 1.00000 None parabolic box sum
133 278 3.04005 3.80494 10ArgHda 10ArgHa 1.54266e+05 1.06870e+06 48.71190 46.43583 1.00000 None parabolic box sum
134 279 1.74242 3.80342 10ArgHb* 10ArgHa 5.80813e+05 4.78062e+06 59.16739 38.03492 1.00000 None parabolic box sum
135 280 1.56614 3.80487 10ArgHga 10ArgHa 3.48854e+05 2.64660e+06 39.98959 39.74867 1.00000 None parabolic box sum
136 281 3.80385 3.09068 10ArgHa 10ArgHdb 2.06606e+05 1.47786e+06 24.51800 47.38662 1.00000 None parabolic box sum
137 282 3.80285 3.04449 10ArgHa 10ArgHda 1.39224e+05 1.02853e+06 24.52172 60.18116 1.00000 None parabolic box sum
138 283 3.80380 1.74243 10ArgHa 10ArgHb* 8.45857e+05 6.08865e+06 23.54383 64.15915 1.00000 None parabolic box sum
139 284 3.80380 1.56406 10ArgHa 10ArgHga 3.84638e+05 2.69721e+06 23.66025 49.48766 1.00000 None parabolic box sum
140 285 3.07823 1.74572 10ArgHdb 10ArgHb* 9.67854e+05 8.06023e+06 39.57981 73.34068 1.00000 None parabolic box sum
141 286 3.07522 1.56299 10ArgHdb 10ArgHga 6.12266e+05 5.03958e+06 38.61962 77.62924 1.00000 None parabolic box sum
142 287 3.04156 1.74092 10ArgHda 10ArgHb* 4.08084e+05 3.65286e+06 57.74060 69.25483 1.00000 None parabolic box sum
143 288 3.03976 1.56359 10ArgHda 10ArgHga 2.84972e+05 2.42146e+06 55.44676 51.62683 1.00000 None parabolic box sum
144 289 1.74104 3.07348 10ArgHb* 10ArgHdb 7.22392e+05 6.12321e+06 74.94912 47.43870 1.00000 None parabolic box sum
145 290 1.56580 3.07374 10ArgHga 10ArgHdb 5.09973e+05 4.07976e+06 66.21983 48.85814 1.00000 None parabolic box sum
146 291 1.74059 3.04090 10ArgHb* 10ArgHda 4.12008e+05 3.65587e+06 60.99651 64.54783 1.00000 None parabolic box sum
147 292 1.56463 3.03914 10ArgHga 10ArgHda 3.32532e+05 2.71036e+06 43.66878 63.09398 1.00000 None parabolic box sum
148 293 1.56814 1.74233 10ArgHga 10ArgHb* 1.27584e+06 1.03556e+07 73.85202 310.90192 1.00000 None parabolic box sum
149 294 1.74043 1.56244 10ArgHb* 10ArgHga 1.04779e+06 9.10747e+06 260.22736 234.94505 1.00000 None parabolic box sum
150 295 1.50934 3.89841 7ArgHg* 7ArgHa 2.44993e+05 2.00075e+06 98.33509 95.97743 1.00000 None parabolic box sum
151 296 3.89261 1.51480 7ArgHa 7ArgHg2 2.93060e+05 2.26743e+06 28.98276 74.24591 1.00000 None parabolic box sum
152 297 1.58479 3.62204 1LeuHbb 1LeuHa 1.89850e+05 1.46673e+06 96.07570 45.20933 1.00000 None parabolic box sum
153 298 1.49141 3.62290 1LeuHba 1LeuHa 2.72936e+05 2.13247e+06 40.76492 43.32914 1.00000 None parabolic box sum
154 299 0.81483 3.62055 1LeuHg 1LeuHa 3.82166e+05 3.64675e+06 37.51228 43.79128 1.00000 None parabolic box sum
155 300 0.82608 1.58578 1LeuHg 1LeuHbb 1.30044e+06 1.15161e+07 38.80961 128.38571 1.00000 None parabolic box sum
156 301 3.61694 1.58672 1LeuHa 1LeuHbb 2.27548e+05 1.72728e+06 30.80536 115.35359 1.00000 None parabolic box sum
157 302 3.61940 1.49663 1LeuHa 1LeuHba 3.56852e+05 2.70801e+06 31.52248 94.41803 1.00000 None parabolic box sum
158 303 3.62033 0.81448 1LeuHa 1LeuHg 5.11216e+05 3.92822e+06 31.86706 43.28869 1.00000 None parabolic box sum
159 306 0.82609 1.49583 1LeuHg 1LeuHba 8.31920e+05 8.11062e+06 39.05455 148.87492 1.00000 None parabolic box sum
160 308 1.38317 3.99595 14LysHga 14LysHa 5.04063e+05 4.16478e+06 103.88531 41.31318 1.00000 None parabolic box sum
161 309 1.38378 1.85652 14LysHga 14LysHb* 6.16974e+05 5.28925e+06 111.94451 80.04969 1.00000 None parabolic box sum
162 310 1.38353 1.59707 14LysHga 14LysHd* 1.42390e+06 1.15960e+07 245.47847 46.39120 1.00000 None parabolic box sum
163 311 1.59438 1.38484 14LysHd2 14LysHga 1.31159e+06 1.07738e+07 38.88551 208.69623 1.00000 None parabolic box sum
164 312 1.86044 1.37888 14LysHb3 14LysHga 6.21607e+05 4.95356e+06 62.71247 110.81210 1.00000 None parabolic box sum
165 313 3.99428 1.37845 14LysHa 14LysHga 4.19360e+05 3.19227e+06 28.13153 113.18373 1.00000 None parabolic box sum
166 314 0.72419 1.95037 4LeuHd2* 4LeuHb3 5.86052e+05 4.63450e+06 33.19327 270.37913 1.00000 None parabolic box sum
167 315 0.72307 1.58156 4LeuHd2* 4LeuHg 8.61029e+05 7.70605e+06 92.34622 245.50791 1.00000 None parabolic box sum
168 316 1.95779 0.72435 4LeuHb3 4LeuHd2* 3.04610e+05 2.53987e+06 426.24818 119.93645 1.00000 None parabolic box sum
169 317 1.37200 2.86058 14LysHga 14LysHeb 1.77822e+05 1.45186e+06 46.18987 91.12397 1.00000 None parabolic box sum
170 318 2.86008 1.36837 14LysHeb 14LysHga 2.77916e+05 1.84495e+06 20.99248 45.04986 1.00000 None parabolic box sum
171 319 1.34756 3.44210 9IleHg1b 9IleHa 1.98010e+05 1.56446e+06 45.30605 70.82492 1.00000 None parabolic box sum
172 321 0.90601 1.75552 9IleHg1a 9IleHb 3.44681e+05 3.08945e+06 187.00119 63.66027 1.00000 None parabolic box sum
173 322 1.35113 1.76331 9IleHg1b 9IleHb 5.71374e+05 4.86074e+06 64.21143 103.74509 1.00000 None parabolic box sum
174 323 1.76034 1.35549 9IleHb 9IleHg1b 5.37574e+05 4.35707e+06 39.33487 64.48832 1.00000 None parabolic box sum
175 324 0.56215 1.35019 9IleHd1* 9IleHg1b 7.44192e+05 5.19368e+06 23.05489 49.16081 1.00000 None parabolic box sum
176 325 0.72566 1.33017 9IleHg2* 9IleHg1b 1.25719e+06 8.97898e+06 31.01351 62.14040 1.00000 None parabolic box sum
177 326 0.90544 1.34699 9IleHg1a 9IleHg1b 5.43036e+05 4.50173e+06 63.59862 47.21088 1.00000 None parabolic box sum
178 327 0.56065 0.90820 9IleHd1* 9IleHg1a 1.02450e+06 7.18839e+06 23.44837 61.62293 1.00000 None parabolic box sum
179 328 0.91682 0.56352 9IleHg1a 9IleHd1* 5.01448e+05 4.02448e+06 63.98372 39.38881 1.00000 None parabolic box sum
180 332 1.34828 0.56522 9IleHg1b 9IleHd1* 3.28266e+05 2.62660e+06 51.69772 37.76108 1.00000 None parabolic box sum
181 333 3.44069 0.55871 9IleHa 9IleHd1* 4.50322e+05 3.05700e+06 24.40438 35.37038 1.00000 None parabolic box sum
182 334 3.44131 0.89567 9IleHa 9IleHg1a 9.18361e+05 8.51696e+06 67.82822 81.65185 1.00000 None parabolic box sum
183 335 3.44063 1.34881 9IleHa 9IleHg1b 3.06662e+05 2.11597e+06 27.80650 46.49674 1.00000 None parabolic box sum
184 341 8.12095 3.44370 12ValH 9IleHa 1.77809e+05 1.41784e+06 39.71241 80.86425 1.00000 None parabolic box sum
185 342 8.20160 3.51983 9IleH 8IleHa 1.32287e+05 9.12468e+05 26.47087 93.68111 1.00000 None parabolic box sum
186 343 8.20029 7.47749 9IleH 11LysH 5.99370e+04 4.13081e+05 105.21221 44.12441 1.00000 None parabolic box sum
187 344 7.91806 4.16819 17AsnH 16PheHa 2.92553e+05 2.01269e+06 57.40637 36.61362 1.00000 None parabolic box sum
188 345 7.92074 3.99701 17AsnH 14LysHa 2.39186e+05 1.65498e+06 89.60848 49.85589 1.00000 None parabolic box sum
189 346 8.20169 4.22697 9IleH 6AsnHa 1.41260e+05 9.49030e+05 24.02032 36.21610 1.00000 None parabolic box sum
190 347 7.50252 3.48324 14LysH 13ValHa 2.41181e+05 1.72145e+06 32.21352 49.18732 1.00000 None parabolic box sum
191 348 7.47721 3.51512 11LysH 8IleHa 2.00198e+05 1.41076e+06 31.10850 62.08600 1.00000 None parabolic box sum
192 349 8.30176 7.50255 13ValH 14LysH 2.55102e+05 1.75002e+06 22.86187 44.57679 1.00000 None parabolic box sum
193 350 7.42629 4.47535 17AsnHd2b 17AsnHa 6.88815e+04 3.87782e+05 15.52911 38.60772 1.00000 None parabolic box sum
194 351 7.21035 4.47130 17AsnHd2a 17AsnHa 2.38977e+05 1.45667e+06 19.00014 37.01486 1.00000 None parabolic box sum
195 352 8.30232 3.80531 13ValH 10ArgHa 1.81178e+05 1.20215e+06 25.12219 42.14355 1.00000 None parabolic box sum
196 353 8.30184 7.81723 13ValH 15LeuH 8.93355e+04 6.81780e+05 87.37028 77.36980 1.00000 None parabolic box sum
197 354 8.30161 8.12025 13ValH 12ValH 1.97125e+05 1.42554e+06 27.93653 209.04853 1.00000 None parabolic box sum
198 355 8.20103 4.10121 9IleH 5PheHa 8.93685e+04 6.22906e+05 131.72254 37.72063 1.00000 None parabolic box sum
199 356 8.20263 3.89789 9IleH 7ArgHa 5.99785e+04 3.91266e+05 25.42150 44.86342 1.00000 None parabolic box sum
200 357 8.07878 3.89748 8IleH 7ArgHa 1.15578e+05 9.46921e+05 68.35465 90.04532 1.00000 None parabolic box sum
201 358 8.11708 4.00203 12ValH 11LysHa 1.56242e+05 1.14316e+06 31.18475 43.19895 1.00000 None parabolic box sum
202 359 8.11898 7.47942 12ValH 11LysH 2.25507e+05 1.69080e+06 28.89289 45.73936 1.00000 None parabolic box sum
203 360 8.08112 4.22650 8IleH 6AsnHa 4.30920e+04 3.32743e+05 33.26405 295.45678 1.00000 None parabolic box sum
204 361 8.08179 4.10194 8IleH 5PheHa 1.11150e+05 8.18584e+05 37.45104 45.22142 1.00000 None parabolic box sum
205 362 7.87376 3.95645 16PheH 15LeuHa 2.04678e+05 1.66293e+06 91.07380 59.32382 1.00000 None parabolic box sum
206 363 7.47727 3.80533 11LysH 10ArgHa 1.79007e+05 1.26360e+06 33.94252 40.29544 1.00000 None parabolic box sum
207 366 8.36036 4.10422 6AsnH 5PheHa 1.00882e+05 7.66732e+05 129.17223 36.48716 1.00000 None parabolic box sum
208 367 7.21447 4.16836 16PheHd* 16PheHa 6.66566e+05 4.01826e+06 17.43552 36.97673 1.00000 None parabolic box sum
209 368 8.12452 3.80362 12ValH 10ArgHa 6.60820e+04 4.81124e+05 41.14257 44.17811 1.00000 None parabolic box sum
210 369 7.87540 3.47835 16PheH 13ValHa 1.66732e+05 1.30568e+06 85.90228 45.77097 1.00000 None parabolic box sum
211 371 7.47796 3.89848 11LysH 7ArgHa 9.16285e+04 7.07358e+05 33.34531 181.89692 1.00000 None parabolic box sum
212 372 7.91722 3.48019 17AsnH 13ValHa 1.24863e+05 8.64850e+05 92.50175 41.37037 1.00000 None parabolic box sum
213 373 8.20115 7.81048 9IleH 10ArgH 1.98004e+05 1.35843e+06 24.49541 44.20298 1.00000 None parabolic box sum
214 374 8.36583 7.82140 6AsnH 7ArgH 1.14339e+05 8.24482e+05 29.12886 43.66087 1.00000 None parabolic box sum
215 375 8.08359 7.81953 8IleH 7ArgH 1.47824e+05 1.18577e+06 52.33695 44.90155 1.00000 None parabolic box sum
216 376 8.20152 8.08522 9IleH 8IleH 1.86938e+05 1.30625e+06 25.42161 163.26547 1.00000 None parabolic box sum
217 377 7.81882 7.49835 15LeuH 14LysH 3.50104e+05 2.59723e+06 29.51315 45.66218 1.00000 None parabolic box sum
218 378 7.82295 4.22924 7ArgH 6AsnHa 1.41899e+05 1.12002e+06 34.84054 71.82732 1.00000 None parabolic box sum
219 379 7.80542 3.44032 10ArgH 9IleHa 1.41420e+05 1.12098e+06 33.28873 80.08595 1.00000 None parabolic box sum
220 380 7.82044 3.50573 15LeuH 12ValHa 2.99864e+05 2.14290e+06 26.72221 53.48285 1.00000 None parabolic box sum
221 382 1.79266 3.89658 7ArgHb* 7ArgHa 4.76247e+05 4.05359e+06 76.92678 88.96063 1.00000 None parabolic box sum
222 383 3.89223 1.79357 7ArgHa 7ArgHb* 6.42810e+05 4.83299e+06 57.26377 76.74726 1.00000 None parabolic box sum
223 384 8.11951 8.30129 12ValH 13ValH 2.03861e+05 1.52300e+06 33.34146 45.20352 1.00000 None parabolic box sum
224 385 8.08468 8.20152 8IleH 9IleH 1.62252e+05 1.33835e+06 128.40296 141.76177 1.00000 None parabolic box sum
225 386 7.82070 8.36586 7ArgH 6AsnH 1.20422e+05 8.98636e+05 26.81511 232.34421 1.00000 None parabolic box sum
226 387 7.81867 8.30145 15LeuH 13ValH 1.22299e+05 8.85503e+05 29.04609 231.64587 1.00000 None parabolic box sum
227 388 7.80747 8.20154 10ArgH 9IleH 2.03917e+05 1.48798e+06 28.39789 52.44732 1.00000 None parabolic box sum
228 389 7.81944 8.08475 7ArgH 8IleH 2.00235e+05 1.52101e+06 30.80931 59.59465 1.00000 None parabolic box sum
229 390 7.50272 8.30098 14LysH 13ValH 2.81648e+05 1.85401e+06 24.80345 41.62062 1.00000 None parabolic box sum
230 392 7.47712 8.11796 11LysH 12ValH 2.92916e+05 2.01321e+06 25.96132 43.92774 1.00000 None parabolic box sum
231 393 7.50168 7.82061 14LysH 15LeuH 3.50484e+05 2.51028e+06 37.35861 45.73238 1.00000 None parabolic box sum
232 394 8.36270 3.08308 6AsnH 5PheHb* 3.09306e+05 2.33414e+06 92.41304 41.69164 1.00000 None parabolic box sum
233 395 8.07502 3.08547 8IleH 7ArgHd* 1.02537e+05 7.53984e+05 57.06912 44.27109 1.00000 None parabolic box sum
234 396 7.92014 3.11407 17AsnH 16PheHbb 2.75934e+05 1.89686e+06 77.85531 39.85235 1.00000 None parabolic box sum
235 397 7.82009 3.08718 7ArgH 7ArgHd* 2.60886e+05 1.98290e+06 82.75430 50.41056 1.00000 None parabolic box sum
236 398 7.81823 4.10065 7ArgH 5PheHa 5.98170e+04 4.73760e+05 36.95325 312.08750 1.00000 None parabolic box sum
237 399 7.47715 3.44225 11LysH 9IleHa 1.06496e+05 9.17171e+05 43.29602 85.12027 1.00000 None parabolic box sum
238 400 7.91828 2.87647 17AsnH 16PheHba 2.77798e+05 1.99666e+06 61.57113 42.32116 1.00000 None parabolic box sum
239 401 8.30146 2.14430 13ValH 12ValHb 2.50336e+05 1.69946e+06 22.40669 44.16137 1.00000 None parabolic box sum
240 402 8.20261 1.90702 9IleH 8IleHb 2.50366e+05 1.78167e+06 25.72651 53.15600 1.00000 None parabolic box sum
241 403 7.91111 1.85069 17AsnH 14LysHb3 9.26935e+04 7.50504e+05 113.84836 116.16257 1.00000 None parabolic box sum
242 404 7.50391 2.03359 14LysH 13ValHb 3.03610e+05 2.13260e+06 26.98461 45.87001 1.00000 None parabolic box sum
243 405 8.20112 0.92807 9IleH 12ValHgb* 3.35862e+05 2.30823e+06 26.16143 59.39635 1.00000 None parabolic box sum
244 406 3.89814 3.09032 7ArgHa 7ArgHd* 2.70407e+05 2.02588e+06 29.18532 45.58779 1.00000 None parabolic box sum
245 407 3.09038 3.89840 7ArgHd* 7ArgHa 3.72472e+05 2.67580e+06 31.25053 86.77497 1.00000 None parabolic box sum
246 408 1.51240 3.09272 7ArgHg2 7ArgHd* 4.57074e+05 3.73946e+06 77.48045 40.76037 1.00000 None parabolic box sum
247 409 1.79266 3.08720 7ArgHb* 7ArgHd* 6.26262e+05 5.30895e+06 82.65628 45.93231 1.00000 None parabolic box sum
248 411 3.09112 1.51930 7ArgHd* 7ArgHg* 7.05508e+05 5.24698e+06 27.97693 76.57291 1.00000 None parabolic box sum
249 412 3.08717 1.79339 7ArgHd* 7ArgHb* 9.42584e+05 7.21581e+06 33.37907 78.39266 1.00000 None parabolic box sum
250 414 8.20463 1.59683 9IleH 14LysHd2 6.20620e+04 4.34386e+05 261.97301 79.98971 1.00000 None parabolic box sum
251 416 8.30317 0.93699 13ValH 13ValHgb* 8.99179e+05 5.91922e+06 22.56676 42.48574 1.00000 None parabolic box sum
252 417 7.50230 0.93811 14LysH 13ValHgb* 3.75370e+05 2.65048e+06 36.90808 81.90013 1.00000 None parabolic box sum
253 418 7.47821 0.93476 11LysH 13ValHgb* 2.99726e+05 2.30287e+06 41.34956 74.27799 1.00000 None parabolic box sum
254 420 7.50294 0.86174 14LysH 12ValHga* 3.36234e+05 2.33159e+06 29.22444 84.97521 1.00000 None parabolic box sum
255 423 7.81980 2.69445 7ArgH 6AsnHba 1.77195e+05 1.28250e+06 29.79347 100.40686 1.00000 None parabolic box sum
256 424 7.81925 0.93334 15LeuH 12ValHgb* 2.59848e+05 1.92083e+06 33.25427 92.92559 1.00000 None parabolic box sum
257 425 7.82108 0.85390 15LeuH 12ValHga* 2.30672e+05 1.70481e+06 32.09454 97.49544 1.00000 None parabolic box sum
258 426 7.47871 1.59827 11LysH 14LysHd2 2.12740e+05 1.66140e+06 40.01870 61.53505 1.00000 None parabolic box sum
259 427 7.47884 1.76161 11LysH 9IleHb 4.17224e+05 3.05484e+06 31.81421 159.57958 1.00000 None parabolic box sum
260 429 7.92186 0.93752 17AsnH 13ValHgb* 8.04775e+04 5.39690e+05 106.77765 90.15737 1.00000 None parabolic box sum
261 430 7.91945 0.85921 17AsnH 13ValHga* 1.31471e+05 9.31349e+05 95.57069 43.59740 1.00000 None parabolic box sum
262 431 7.87096 0.93388 16PheH 12ValHgb* 1.01610e+05 7.91270e+05 98.24906 90.23502 1.00000 None parabolic box sum
263 432 7.87446 0.85295 16PheH 12ValHga* 1.23940e+05 9.81193e+05 93.82935 84.07323 1.00000 None parabolic box sum
264 433 7.50320 1.32533 14LysH 15LeuHg 1.28586e+05 9.26578e+05 32.64868 220.38097 1.00000 None parabolic box sum
265 434 8.07679 1.73791 8IleH 10ArgHb3 2.71118e+05 2.12807e+06 42.57821 163.19166 1.00000 None parabolic box sum
266 436 7.87077 1.31725 16PheH 15LeuHg 1.90902e+05 1.47466e+06 72.35515 44.93130 1.00000 None parabolic box sum
267 437 7.47776 3.08443 11LysH 5PheHb* 9.16400e+04 6.50622e+05 29.03631 45.76958 1.00000 None parabolic box sum
268 438 8.36604 2.69057 6AsnH 6AsnHba 2.28012e+05 1.69922e+06 30.04132 94.96387 1.00000 None parabolic box sum
269 442 7.50232 2.86843 14LysH 16PheHba 6.69915e+04 4.22200e+05 26.58577 48.46155 1.00000 None parabolic box sum
270 443 7.47773 2.77377 11LysH 6AsnHbb 1.37198e+05 9.23958e+05 26.99625 87.63557 1.00000 None parabolic box sum
271 446 7.42614 2.73352 17AsnHd2b 17AsnHbb 1.98281e+05 1.15350e+06 15.10279 69.39989 1.00000 None parabolic box sum
272 447 7.42508 2.69538 17AsnHd2b 17AsnHba 2.07526e+05 1.28415e+06 17.42225 67.84143 1.00000 None parabolic box sum
273 448 7.42764 3.47950 17AsnHd2b 13ValHa 6.10270e+04 3.91064e+05 78.57149 48.64241 1.00000 None parabolic box sum
274 449 7.42393 0.86068 17AsnHd2b 13ValHga* 2.31222e+05 1.35882e+06 18.13564 40.08994 1.00000 None parabolic box sum
275 450 3.80429 2.03599 10ArgHa 13ValHb 3.13633e+05 2.16530e+06 22.98690 43.25335 1.00000 None parabolic box sum
276 451 3.80444 2.14509 10ArgHa 12ValHb 4.78345e+04 3.66871e+05 25.60019 554.61099 1.00000 None parabolic box sum
277 452 2.14739 3.80146 12ValHb 10ArgHa 4.69760e+04 3.46907e+05 132.51370 50.13299 1.00000 None parabolic box sum
278 453 2.03412 3.80502 13ValHb 10ArgHa 2.35974e+05 1.82698e+06 36.99260 39.27351 1.00000 None parabolic box sum
279 454 4.22604 1.76382 6AsnHa 7ArgHba 9.92920e+04 6.97281e+05 22.89517 45.15308 1.00000 None parabolic box sum
280 455 4.22471 0.56388 6AsnHa 9IleHd1* 7.85820e+04 5.48621e+05 23.37387 34.60835 1.00000 None parabolic box sum
281 458 0.93591 3.99896 13ValHgb* 14LysHa 3.02116e+05 2.08947e+06 20.78759 48.88743 1.00000 None parabolic box sum
282 459 0.56406 4.22544 9IleHd1* 6AsnHa 3.22428e+05 2.19433e+06 22.87654 37.68436 1.00000 None parabolic box sum
283 460 1.34879 4.22414 9IleHg1b 6AsnHa 7.60625e+04 6.22408e+05 42.26947 50.35430 1.00000 None parabolic box sum
284 464 3.80368 1.37119 10ArgHa 14LysHga 6.61390e+04 4.30504e+05 19.19223 535.35293 1.00000 None parabolic box sum
285 465 1.37861 3.80327 14LysHga 10ArgHa 5.67045e+04 3.64370e+05 60.52712 45.76911 1.00000 None parabolic box sum
286 466 0.56135 2.14470 9IleHd1* 12ValHb 1.02294e+05 6.61402e+05 22.51752 55.16173 1.00000 None parabolic box sum
287 467 2.14385 0.56138 12ValHb 9IleHd1* 4.19945e+04 3.22555e+05 41.62360 39.46599 1.00000 None parabolic box sum
288 468 3.99513 2.03540 14LysHa 13ValHb 1.21746e+05 9.11668e+05 27.49916 474.44646 1.00000 None parabolic box sum
289 469 2.01848 3.99515 2MetHb* 4LeuHa 1.17875e+05 9.31028e+05 469.97983 41.92736 1.00000 None parabolic box sum
290 472 2.69760 3.89104 6AsnHba 7ArgHa 1.26362e+05 9.35838e+05 32.28523 140.21737 1.00000 None parabolic box sum
291 473 3.89361 2.68908 7ArgHa 6AsnHba 9.41345e+04 7.11906e+05 30.55064 105.45652 1.00000 None parabolic box sum
292 474 2.87930 3.47173 16PheHba 13ValHa 1.78400e+05 1.32936e+06 34.56697 41.49078 1.00000 None parabolic box sum
293 475 3.10480 3.47184 16PheHbb 13ValHa 2.14974e+05 1.59792e+06 33.65334 50.83923 1.00000 None parabolic box sum
294 476 3.47514 3.10588 13ValHa 16PheHbb 2.16507e+05 1.78160e+06 28.36064 53.32849 1.00000 None parabolic box sum
295 477 7.82039 2.77204 7ArgH 6AsnHbb 1.68222e+05 1.23567e+06 27.14689 104.02219 1.00000 None parabolic box sum
296 478 8.30262 1.85214 13ValH 14LysHb* 1.51182e+05 1.04570e+06 23.19622 116.68609 1.00000 None parabolic box sum
297 482 8.20162 0.72328 9IleH 9IleHg2* 5.71606e+05 3.79870e+06 23.26304 40.12434 1.00000 None parabolic box sum
298 485 3.08445 4.28465 5PheHb2 2MetHa 3.05584e+05 2.25391e+06 28.49149 158.33449 1.00000 None parabolic box sum
299 486 4.28635 3.07975 2MetHa 5PheHb2 6.60585e+04 4.61322e+05 23.48097 43.05250 1.00000 None parabolic box sum
300 487 0.72332 3.08385 4Leu(Hd1*/Hd2*) 5PheHb* 2.83262e+05 2.17408e+06 43.14026 47.25179 1.00000 None parabolic box sum
301 488 3.08736 0.72723 7ArgHd2 8IleHg2* 2.90678e+05 2.26801e+06 32.87056 118.31475 1.00000 None parabolic box sum
302 490 2.14365 0.73061 12ValHb 8IleHg2* 1.86434e+05 1.49905e+06 41.48064 44.00283 1.00000 None parabolic box sum
303 491 2.02479 0.72659 13ValHb 9IleHg2* 1.53290e+05 1.25852e+06 525.19748 181.75697 1.00000 None parabolic box sum
304 492 0.72659 2.02429 9IleHg2* 13ValHb 2.34612e+05 1.74830e+06 29.89778 508.24397 1.00000 None parabolic box sum
305 493 0.72707 2.14633 8IleHg2* 12ValHb 3.03023e+05 2.01646e+06 25.33430 48.25652 1.00000 None parabolic box sum
306 494 7.09001 4.10370 5PheHd* 5PheHa 5.44194e+05 3.72286e+06 20.82787 45.58361 1.00000 None parabolic box sum
307 496 7.08992 3.08829 5PheHd* 5PheHb* 6.71544e+05 4.66027e+06 20.42530 46.19871 1.00000 None parabolic box sum
308 498 7.06084 3.08842 5PheHe* 5PheHb* 2.58170e+05 1.87558e+06 43.39125 41.99059 1.00000 None parabolic box sum
309 505 0.56296 3.08737 9IleHd1* 5PheHb* 1.61075e+05 1.13419e+06 23.75431 43.63041 1.00000 None parabolic box sum
310 507 1.32399 4.17083 15LeuHg 16PheHa 6.70755e+04 4.80834e+05 27.72594 81.63977 1.00000 None parabolic box sum
311 508 1.90081 4.10477 8IleHb 5PheHa 1.94664e+05 1.50317e+06 47.24134 45.88023 1.00000 None parabolic box sum
312 509 4.10500 1.90427 5PheHa 8IleHb 1.34213e+05 9.50220e+05 28.23956 48.82606 1.00000 None parabolic box sum
313 510 3.09180 3.97612 7ArgHd2 4LeuHa 2.79188e+05 2.05570e+06 27.65469 100.74440 1.00000 None parabolic box sum
314 511 3.97748 3.09181 4LeuHa 7ArgHd* 1.69012e+05 1.23079e+06 35.57745 42.40345 1.00000 None parabolic box sum
315 513 2.02143 3.08795 2MetHb3 5PheHb* 1.52851e+05 1.16568e+06 391.90706 45.95881 1.00000 None parabolic box sum
316 514 3.07960 2.02581 10ArgHdb 13ValHb 1.55976e+05 1.20600e+06 33.84007 405.93041 1.00000 None parabolic box sum
317 517 0.56343 1.90254 9IleHd1* 8IleHb 1.27981e+05 9.05846e+05 27.30871 179.82610 1.00000 None parabolic box sum
318 518 1.90165 0.56278 8IleHb 9IleHd1* 6.52290e+04 5.66796e+05 155.93180 44.32410 1.00000 None parabolic box sum
319 521 2.77362 1.48403 14LysHea 14LysHgb 9.73050e+04 8.10368e+05 35.56535 406.48647 1.00000 None parabolic box sum
320 522 2.76929 3.89429 6AsnHbb 7ArgHa 1.18342e+05 9.77422e+05 34.95300 142.56297 1.00000 None parabolic box sum
321 523 3.89387 2.77284 7ArgHa 6AsnHbb 9.09290e+04 7.00962e+05 49.69025 107.32602 1.00000 None parabolic box sum
322 524 0.94041 3.80298 13ValHgb* 10ArgHa 5.11519e+05 3.11906e+06 18.50864 36.95302 1.00000 None parabolic box sum
323 525 0.86583 3.80341 13ValHga* 10ArgHa 2.92347e+05 1.87306e+06 21.92892 37.65786 1.00000 None parabolic box sum
324 526 3.80413 0.94089 10ArgHa 13ValHgb* 4.34415e+05 2.96698e+06 23.32684 42.99066 1.00000 None parabolic box sum
325 527 3.80301 0.86475 10ArgHa 13ValHga* 2.76900e+05 1.86949e+06 23.12288 92.29282 1.00000 None parabolic box sum
326 528 1.34655 0.90689 9IleHg1b 9IleHg1a 5.92242e+05 4.80000e+06 43.33444 57.46594 1.00000 None parabolic box sum
327 529 1.75817 0.90483 9IleHb 9IleHg1a 4.88684e+05 4.18380e+06 59.53386 94.99083 1.00000 None parabolic box sum
328 530 8.30201 0.86196 13ValH 13ValHga* 5.47968e+05 3.77722e+06 22.99575 91.82137 1.00000 None parabolic box sum
329 531 8.20189 0.56469 9IleH 9IleHd1* 2.03776e+05 1.34761e+06 22.52904 38.61237 1.00000 None parabolic box sum
330 532 8.20011 1.34993 9IleH 9IleHg1b 2.37919e+05 1.58117e+06 22.63347 46.97190 1.00000 None parabolic box sum
331 533 8.20136 0.89644 9IleH 9IleHg1a 2.86370e+05 1.98395e+06 24.28703 67.85119 1.00000 None parabolic box sum
332 537 7.81858 1.51204 7ArgH 7ArgHg* 2.12578e+05 1.63231e+06 30.47241 327.91760 1.00000 None parabolic box sum
333 538 7.80391 3.04004 10ArgH 10ArgHda 1.06262e+05 9.20814e+05 34.59002 75.69139 1.00000 None parabolic box sum
334 539 7.80601 3.08726 10ArgH 10ArgHdb 2.33670e+05 1.93269e+06 85.62161 48.99437 1.00000 None parabolic box sum
335 543 8.36720 8.07198 6AsnH 8IleH 4.43210e+04 3.48543e+05 58.83421 65.74085 1.00000 None parabolic box sum
336 544 8.07051 8.36803 8IleH 6AsnH 3.57970e+04 3.19481e+05 68.77689 397.63051 1.00000 None parabolic box sum
337 546 7.92243 7.42604 17AsnH 17AsnHd2b 6.77915e+04 4.09234e+05 18.02295 85.58474 1.00000 None parabolic box sum
338 548 7.47416 8.19909 11LysH 9IleH 8.17280e+04 5.90767e+05 27.03071 211.42504 1.00000 None parabolic box sum
339 549 7.42448 7.91378 17AsnHd2b 17AsnH 8.33520e+04 4.88044e+05 17.30490 50.13032 1.00000 None parabolic box sum
340 554 8.02486 4.09997 4LeuH 3GlyHa2 4.26015e+04 3.46468e+05 82.79202 44.91642 1.00000 None parabolic box sum
341 558 8.28069 1.59019 5PheH 4LeuHg 1.59009e+05 1.34177e+06 50.47536 49.40909 1.00000 None parabolic box sum
342 562 7.87543 1.62498 16PheH 14LysHd* 1.31594e+05 1.04157e+06 84.29470 51.57615 1.00000 None parabolic box sum
343 567 8.20722 3.08267 9IleH 10ArgHd* 9.43110e+04 7.57202e+05 151.49964 42.87025 1.00000 None parabolic box sum
344 572 8.06769 1.51355 8IleH 7ArgHg* 7.85110e+04 6.42298e+05 86.40264 343.54313 1.00000 None parabolic box sum
345 574 7.86520 2.03415 16PheH 13ValHb 3.91410e+04 3.33776e+05 82.26745 491.56211 1.00000 None parabolic box sum
346 575 7.82109 3.99522 15LeuH 14LysHa 4.17910e+05 3.06726e+06 25.92523 93.35752 1.00000 None parabolic box sum
347 576 8.30034 3.99476 13ValH 11LysHa 1.33467e+05 9.67682e+05 36.52612 43.28032 1.00000 None parabolic box sum
348 579 7.81985 4.00544 15LeuH 11LysHa 3.32108e+05 2.44215e+06 26.05421 102.10108 1.00000 None parabolic 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
1 . . H 1 H . . 13.0171 ppm . . . 4.718 . . 30717 1
2 . . H 1 H . . 13.000 ppm . . . 4.718 . . 30717 1
stop_
save_