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 34380
_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 3
_Spectral_peak_list.Experiment_name NOESY
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_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
1 152 8.23867 3.73469 3IleH None 2.98790e+05 2.23877e+06 18.56759 44.10832 1.00000 None parabolic box sum
2 154 8.23822 1.30231 3IleH None 3.89253e+05 2.99901e+06 23.35176 38.86436 1.00000 None parabolic box sum
3 155 8.23736 1.04404 3IleH None 4.79637e+05 3.73702e+06 21.35426 37.11165 1.00000 None parabolic box sum
4 156 8.23954 0.70878 3IleH None 4.13496e+05 3.12127e+06 24.02112 34.93087 1.00000 None parabolic box sum
5 414 1.04319 0.72872 3IleHg1a None 1.36176e+07 9.78937e+07 23.97180 30.76655 1.00000 None parabolic box sum
6 415 1.31120 0.72915 3IleHg1b None 3.65102e+06 2.66079e+07 22.22657 32.42797 1.00000 None parabolic box sum
7 159 7.78231 0.70937 5HisH None 1.41683e+06 8.41648e+06 10.50711 47.91958 1.00000 None parabolic box sum
8 371 7.78256 3.00854 5HisH None 7.75526e+05 4.74039e+06 10.70559 97.60917 1.00000 None None box sum
9 396 2.92259 0.72391 5HisHba None 4.40324e+05 3.56629e+06 59.05092 51.41345 1.00000 None parabolic box sum
10 395 2.94865 0.72449 5HisHbb None 8.00854e+05 6.01448e+06 45.57312 54.31504 1.00000 None parabolic box sum
11 362 6.85874 4.05738 5HisHd2 None 3.55763e+05 1.73394e+06 9.08375 34.03327 1.00000 None parabolic box sum
12 171 6.85304 4.53010 7HisHd2 None 3.14973e+06 1.90176e+07 11.29538 40.00433 1.00000 None parabolic box sum
13 348 6.84766 0.27744 7HisHd2 None 3.54786e+05 2.00104e+06 9.80705 41.71716 0 None parabolic box sum
14 507 3.53709 0.71544 9ProHdb None 1.73339e+05 1.12989e+06 16.55698 39.47762 1.00000 None parabolic box sum
15 188 8.60634 4.53268 10AspH None 5.28495e+05 3.84003e+06 20.43739 31.83045 1.00000 None parabolic box sum
16 142 6.94845 0.70974 11Trp(Hd1/Hz3) None 8.99014e+05 6.19115e+06 14.02944 54.67125 1.00000 None None box sum
17 242 6.95083 2.66098 11Trp(Hd1/Hz3) None 1.89569e+06 1.13987e+07 10.62661 48.87908 1.00000 None parabolic box sum
18 243 6.95026 2.52122 11Trp(Hd1/Hz3) None 1.04840e+06 6.48670e+06 10.63019 69.43942 1.00000 None parabolic box sum
19 244 6.95038 2.49557 11Trp(Hd1/Hz3) None 1.03292e+06 6.51378e+06 11.94417 69.90423 1.00000 None parabolic box sum
20 248 6.95169 1.64363 11Trp(Hd1/Hz3) None 3.53856e+05 2.23213e+06 12.67403 46.27861 1.00000 None parabolic box sum
21 250 6.95028 1.48746 11Trp(Hd1/Hz3) None 1.51529e+06 8.89699e+06 10.48684 45.01326 1.00000 None parabolic box sum
22 245 6.95312 1.88340 11Trp(Hz3/Hd1) None 4.38094e+05 2.99293e+06 12.01123 85.50809 1.00000 None parabolic box sum
23 247 6.95368 1.82953 11Trp(Hz3/Hd1) None 4.32677e+05 2.65582e+06 11.38717 86.11821 1.00000 None parabolic box sum
24 789 6.95059 1.95246 11Trp(Hz3/Hd1) None 2.69492e+05 1.67626e+06 12.61920 141.03813 1.00000 None parabolic box sum
25 213 7.67168 0.70310 11TrpH None 2.47576e+05 1.94460e+06 17.79437 47.31208 1.00000 None parabolic box sum
26 700 9.83084 4.52913 11TrpHe1 None 1.78901e+05 9.85086e+05 10.04763 76.46704 1.00000 None parabolic box sum
27 702 9.82956 4.39781 11TrpHe1 None 1.78136e+05 1.10850e+06 12.59163 48.13729 1.00000 None parabolic box sum
28 712 9.83165 0.71730 11TrpHe1 None 3.10525e+05 1.87358e+06 10.82800 51.14957 1.00000 None parabolic box sum
29 220 7.33506 0.98949 11TrpHe3 None 5.10699e+05 3.82568e+06 23.90355 46.05303 1.00000 None parabolic box sum
30 232 7.34341 2.48943 11TrpHe3 None 4.93418e+05 3.78243e+06 33.34492 70.92039 1.00000 None parabolic box sum
31 230 7.31723 2.64591 11TrpHz2 None 2.92024e+05 2.18844e+06 40.29453 42.49988 1.00000 None parabolic box sum
32 234 7.31816 2.48874 11TrpHz2 None 3.13166e+05 2.21206e+06 38.40029 56.89925 1.00000 None parabolic box sum
33 518 2.85924 3.72704 13CysHb* None 1.88310e+05 1.45372e+06 27.18985 44.66755 1.00000 None parabolic box sum
34 146 7.10408 0.71314 14TrpHd1 None 3.95657e+05 3.58257e+06 35.50440 49.81340 1.00000 None None box sum
35 275 7.10792 2.98805 14TrpHd1 None 6.22382e+05 3.74384e+06 14.29558 72.94536 1.00000 None parabolic box sum
36 713 10.11639 0.71110 14TrpHe1 None 2.19244e+05 1.38913e+06 11.82638 49.55792 1.00000 None parabolic box sum
37 725 10.11705 2.99510 14TrpHe1 None 2.38691e+05 1.63120e+06 13.92022 78.82934 1.00000 None parabolic box sum
38 298 7.44505 0.71688 14TrpHe3 None 3.10820e+05 2.50555e+06 17.18283 45.64961 1.00000 None parabolic box sum
39 303 7.44162 2.99184 14TrpHe3 None 2.81954e+05 1.97358e+06 20.65688 84.83712 1.00000 None parabolic box sum
40 283 7.02858 0.71006 14TrpHz3 None 3.16623e+05 2.49358e+06 20.76954 52.69191 1.00000 None parabolic box sum
41 292 7.02915 3.00457 14TrpHz3 None 5.36111e+05 3.75893e+06 15.80715 61.84209 1.00000 None parabolic box sum
42 293 7.02730 4.35328 14TrpHz3 None 3.20881e+05 2.25221e+06 20.13981 39.31604 1.00000 None parabolic box sum
43 452 2.54354 3.01730 15TyrHba None 7.79853e+05 5.74591e+06 18.80527 73.40544 1.00000 None parabolic box sum
44 450 2.65237 3.01381 15TyrHbb None 7.07529e+05 5.54636e+06 30.73573 105.61046 1.00000 None parabolic box sum
45 309 6.71356 0.71506 15TyrHd* None 4.00240e+05 2.95248e+06 19.96219 55.52006 1.00000 None parabolic box sum
46 312 6.71789 1.47461 15TyrHd* None 3.93390e+05 3.08308e+06 19.02014 60.94868 1.00000 None parabolic box sum
47 317 6.70807 1.91408 15TyrHd* None 2.71087e+05 1.66587e+06 16.92921 77.31900 1.00000 None parabolic box sum
48 322 6.71349 3.11929 15TyrHd* None 6.59485e+05 4.84693e+06 19.10269 47.81466 1.00000 None parabolic box sum
49 323 6.71329 3.01055 15TyrHd* None 6.74104e+05 5.22140e+06 19.38224 66.81849 1.00000 None parabolic box sum
50 324 6.70712 2.84400 15TyrHd* None 2.61253e+05 1.71285e+06 16.29472 54.51702 1.00000 None parabolic box sum
51 336 6.71226 7.34222 15TyrHd* None 6.92812e+05 5.28193e+06 20.94209 41.54247 1.00000 None parabolic box sum
52 310 6.53935 0.71049 15TyrHe* None 3.67812e+05 2.71425e+06 18.55820 55.25671 1.00000 None parabolic box sum
53 315 6.53963 1.49966 15TyrHe* None 2.71449e+05 1.93116e+06 18.87053 50.65959 1.00000 None parabolic box sum
54 319 6.53278 1.91094 15TyrHe* None 2.77108e+05 2.12824e+06 20.09898 41.36148 1.00000 None parabolic box sum
55 326 6.53646 3.11849 15TyrHe* None 2.22217e+05 1.45001e+06 15.15597 175.45330 1.00000 None parabolic box sum
56 327 6.53964 3.00414 15TyrHe* None 4.43472e+05 3.19672e+06 18.20922 71.46440 1.00000 None parabolic box sum
57 328 6.53897 2.85793 15TyrHe* None 3.80374e+05 2.62143e+06 18.47386 47.52507 1.00000 None parabolic box sum
58 333 6.53789 7.33455 15TyrHe* None 4.00319e+05 2.72616e+06 21.32863 42.49883 1.00000 None parabolic box sum
59 405 2.49260 0.73023 (4Hcy/8Arg)(Hga/Hda) None 2.73756e+05 1.97553e+06 50.69315 51.03521 1.00000 None parabolic box sum
60 403 2.63714 0.73023 (4Hcy/8Arg)(Hgb/Hdb) None 2.62212e+05 2.11768e+06 40.28499 52.64890 1.00000 None parabolic box sum
61 360 6.85629 3.11219 (5His/7His)Hd2 None 9.97897e+05 5.82065e+06 10.82242 44.85011 1.00000 None parabolic box sum
62 359 6.85270 2.86130 (7His/5His)Hd2 None 6.67872e+05 4.13632e+06 11.36392 186.88761 1.00000 None parabolic box sum
63 364 6.85734 7.33646 (7His/5His)Hd2 None 1.37669e+06 7.87959e+06 12.42191 36.76935 1.00000 None parabolic box sum
64 177 7.73703 1.83172 (7His/8Arg)(He1/H) None 8.60602e+05 5.10514e+06 10.72407 57.01362 1.00000 None parabolic box sum
65 267 7.73651 7.34738 (7His/8Arg)(He1/H) None 3.82390e+05 1.49661e+06 8.53837 28.42156 1.00000 None parabolic box sum
66 268 7.73400 7.10017 (7His/8Arg)(He1/H) None 4.65892e+05 2.52054e+06 17.12829 24.58407 1.00000 None parabolic box sum
67 408 2.49198 0.70492 (8Arg/4Hcy)(Hda/Hga) None 3.99931e+05 3.20519e+06 44.28983 47.30526 1.00000 None parabolic box sum
68 406 2.63834 0.70421 (8Arg/4Hcy)(Hdb/Hgb) None 4.10459e+05 3.22673e+06 35.73954 47.09280 1.00000 None parabolic box sum
69 181 7.73597 1.16542 (8Arg/7His)H None 4.35235e+05 2.70443e+06 14.55307 93.17678 1.00000 None parabolic box sum
70 221 7.34751 0.70796 (11Trp/14Trp)(He3/Hz2) None 7.13516e+05 5.59192e+06 22.67361 54.26730 1.00000 None parabolic box sum
71 251 7.08842 1.48996 (11Trp/14Trp)Hh2 None 3.80388e+05 2.67098e+06 34.48367 48.40326 1.00000 None parabolic box sum
72 256 7.08733 2.48784 (11Trp/14Trp)Hh2 None 2.94696e+05 2.18941e+06 29.81603 69.67812 1.00000 None parabolic box sum
73 289 7.08564 1.64901 (11Trp/14Trp)Hh2 None 2.60442e+05 2.11006e+06 34.19995 52.48417 1.00000 None parabolic box sum
74 219 7.08856 0.70956 (14Trp/11Trp)Hh2 None 5.46482e+05 4.03133e+06 31.41463 51.20308 1.00000 None parabolic box sum
75 255 7.08686 2.52787 (14Trp/11Trp)Hh2 None 2.87339e+05 2.29209e+06 33.24449 75.66072 1.00000 None parabolic box sum
76 288 7.08787 1.83772 (14Trp/11Trp)Hh2 None 3.41122e+05 2.42338e+06 34.87349 92.15065 1.00000 None parabolic box sum
77 261 7.73298 4.52582 {*}H None 3.20297e+06 2.31659e+07 18.76175 58.56015 1.00000 None parabolic box sum
78 557 1.91089 4.34689 1ProHba 1ProHa 8.29608e+05 6.32044e+06 25.84100 99.32096 1.00000 None parabolic box sum
79 48 2.22104 4.34926 1ProHbb 1ProHa 5.17537e+05 3.99062e+06 31.57198 31.80054 1.00000 None None box sum
80 556 1.95802 4.34123 1ProHga 1ProHa 4.17536e+05 3.17146e+06 20.02180 140.51877 1.00000 None parabolic box sum
81 384 3.62270 1.89473 1ProHda 1ProHba 3.05688e+05 2.06449e+06 157.82535 143.92503 1.00000 None parabolic box sum
82 759 3.74671 1.89429 1ProHdb 1ProHba 2.70437e+05 1.45754e+06 24.35505 128.07669 1.00000 None parabolic box sum
83 555 1.90361 2.21793 1ProHba 1ProHbb 2.87626e+06 2.25989e+07 31.38363 38.94515 1.00000 None parabolic box sum
84 554 1.95698 2.21588 1ProHga 1ProHbb 1.82170e+06 1.41388e+07 76.21706 40.51477 1.00000 None parabolic box sum
85 380 1.91001 3.62031 1ProHba 1ProHda 3.21654e+05 2.62246e+06 84.38468 33.22957 1.00000 None None box sum
86 44 1.96261 3.62031 1ProHga 1ProHda 7.55364e+05 5.66473e+06 32.38440 32.86025 1.00000 None None box sum
87 385 4.46660 3.61844 2SerHa 1ProHda 8.71371e+05 6.32036e+06 25.58231 30.86150 1.00000 None parabolic box sum
88 381 1.90620 3.75221 1ProHba 1ProHdb 2.66101e+05 2.19064e+06 84.68807 35.29861 1.00000 None None box sum
89 379 1.96051 3.75181 1ProHga 1ProHdb 7.07764e+05 5.46566e+06 33.99014 36.47111 1.00000 None parabolic box sum
90 383 3.62709 1.96286 1ProHda 1ProHga 8.11923e+05 6.18235e+06 23.83173 42.84716 1.00000 None parabolic box sum
91 382 3.74598 1.96205 1ProHdb 1ProHga 6.78266e+05 5.30703e+06 30.34830 44.09887 1.00000 None parabolic box sum
92 137 3.62355 4.46492 1ProHda 2SerHa 1.12455e+06 8.33674e+06 23.72026 34.07576 1.00000 None parabolic box sum
93 29 3.74771 4.45801 2SerHbb 2SerHa 3.27710e+06 2.15684e+07 26.86203 25.62856 1.00000 None None box sum
94 151 8.23797 4.45390 3IleH 2SerHa 1.61146e+06 1.18807e+07 21.16576 31.27541 1.00000 None parabolic box sum
95 560 1.69475 4.11874 3IleHb 3IleHa 2.12378e+06 1.59496e+07 25.49589 33.66342 1.00000 None parabolic box sum
96 393 0.72985 4.11726 3IleHd1* 3IleHa 1.53820e+06 1.06007e+07 40.66110 36.89604 1.00000 None parabolic box sum
97 562 1.03874 4.11820 3IleHg1a 3IleHa 4.90227e+05 3.73876e+06 39.68954 33.29724 1.00000 None parabolic box sum
98 561 1.30302 4.11781 3IleHg1b 3IleHa 4.58379e+05 3.50110e+06 35.44807 34.47393 1.00000 None parabolic box sum
99 392 0.70510 4.11951 3IleHg2* 3IleHa 4.55887e+06 3.16920e+07 16.72506 34.38633 1.00000 None parabolic box sum
100 82 8.29579 4.11552 4HcyH 3IleHa 3.74194e+06 2.70142e+07 19.39252 33.59260 1.00000 None None box sum
101 501 1.91567 4.12151 4HcyHba 3IleHa 2.30782e+05 1.85550e+06 29.51741 57.17572 1.00000 None parabolic box sum
102 729 1.96073 4.11751 4HcyHbb 3IleHa 1.75185e+05 1.26560e+06 27.00686 27.37235 1.00000 None parabolic box sum
103 153 8.23878 1.69752 3IleH 3IleHb 7.50865e+05 5.66909e+06 21.29614 37.30680 1.00000 None parabolic box sum
104 390 4.12024 1.69701 3IleHa 3IleHb 4.42082e+06 3.01108e+07 15.70463 35.10399 1.00000 None parabolic box sum
105 681 0.72804 1.69924 3IleHd1* 3IleHb 2.72958e+06 1.91556e+07 18.43452 38.41425 1.00000 None parabolic box sum
106 22 1.04484 1.70626 3IleHg1a 3IleHb -7.05643e+05 -5.02780e+06 17.27045 32.58378 1.00000 None None box sum
107 23 1.30387 1.70328 3IleHg1b 3IleHb 1.61196e+06 1.25412e+07 38.81037 31.96055 1.00000 None None box sum
108 682 0.70667 1.69758 3IleHg2* 3IleHb 1.73829e+07 9.52844e+07 10.02729 34.29399 1.00000 None parabolic box sum
109 81 8.29451 1.69623 4HcyH 3IleHb 6.87567e+05 5.12215e+06 19.20685 41.65316 1.00000 None None box sum
110 774 7.78129 1.68986 5HisH 3IleHb 2.28301e+05 1.18590e+06 9.57131 67.12906 1.00000 None parabolic box sum
111 674 4.17609 0.73091 9ProHa 3IleHd1* 1.35845e+06 7.95827e+06 25.50721 21.29164 1.00000 None parabolic box sum
112 386 4.11882 1.04245 3IleHa 3IleHg1a 1.73039e+06 1.27914e+07 19.64688 39.36221 1.00000 None parabolic box sum
113 677 1.30506 1.04527 3IleHg1b 3IleHg1a 1.16936e+07 9.16091e+07 31.63576 45.50324 1.00000 None parabolic box sum
114 767 7.78623 1.05212 5HisH 3IleHg1a 1.83192e+05 8.55317e+05 7.60645 132.08783 1.00000 None parabolic box sum
115 389 4.11967 1.30222 3IleHa 3IleHg1b 1.24218e+06 9.17686e+06 19.62662 38.32192 1.00000 None parabolic box sum
116 680 1.69842 1.30232 3IleHb 3IleHg1b 2.46671e+06 1.82275e+07 25.69020 30.67264 1.00000 None parabolic box sum
117 678 1.03695 1.30146 3IleHg1a 3IleHg1b 1.10980e+07 8.68873e+07 35.05528 43.09950 1.00000 None parabolic box sum
118 87 8.29214 1.30171 4HcyH 3IleHg1b 2.94298e+05 2.05410e+06 17.18730 37.13106 1.00000 None None box sum
119 770 7.78258 1.30979 5HisH 3IleHg1b 1.87477e+05 1.16611e+06 11.99752 102.10452 1.00000 None parabolic box sum
120 411 1.95717 0.70795 None 3IleHg2* 4.59755e+05 3.40524e+06 140.22052 41.91284 0 None parabolic box sum
121 672 4.11915 0.70667 3IleHa 3IleHg2* 5.91369e+06 4.05292e+07 20.33830 36.53668 1.00000 None parabolic box sum
122 417 1.69160 0.70701 3IleHb 3IleHg2* 7.28144e+06 5.37540e+07 25.26402 31.35358 1.00000 None parabolic box sum
123 164 8.29388 0.70661 4HcyH 3IleHg2* 1.03580e+06 7.29431e+06 18.10029 33.47981 1.00000 None parabolic box sum
124 673 4.17655 0.70398 9ProHa 3IleHg2* 1.72783e+06 1.07684e+07 24.44386 26.74912 1.00000 None parabolic box sum
125 410 2.14006 0.70854 9ProHbb 3IleHg2* 3.72312e+05 2.78314e+06 38.94031 41.65631 1.00000 None parabolic box sum
126 508 3.47917 0.71799 9ProHda 3IleHg2* 2.11964e+05 1.23584e+06 24.79911 36.48370 1.00000 None parabolic box sum
127 363 6.85434 4.40091 None 4HcyHa 4.45586e+05 2.85974e+06 12.60668 49.51490 1.00000 None parabolic box sum
128 685 0.70509 4.40222 3IleHg2* 4HcyHa 4.32375e+05 3.34386e+06 36.18300 63.87493 1.00000 None parabolic box sum
129 687 8.29862 4.40348 4HcyH 4HcyHa 1.78805e+06 1.05960e+07 12.21582 32.83087 1.00000 None parabolic box sum
130 568 1.91181 4.40301 4HcyHba 4HcyHa 2.86137e+06 2.14052e+07 27.92299 33.53542 1.00000 None parabolic box sum
131 567 1.95851 4.40313 4HcyHbb 4HcyHa 2.63487e+06 1.95580e+07 27.72689 33.39272 1.00000 None parabolic box sum
132 569 2.49059 4.40381 4HcyHga 4HcyHa 1.37602e+06 1.01869e+07 44.92640 36.61380 1.00000 None parabolic box sum
133 611 2.94792 4.40467 5HisHbb 4HcyHa 3.07054e+05 2.13200e+06 27.24349 49.51228 1.00000 None parabolic box sum
134 610 2.86025 4.40326 13CysHb* 4HcyHa 6.55226e+05 4.75563e+06 28.19061 123.63119 1.00000 None parabolic box sum
135 684 0.73096 4.40703 (3Ile/6Val)(Hd1*/Hgb*) 4HcyHa 3.24702e+05 2.23773e+06 39.23118 25.12861 1.00000 None parabolic box sum
136 252 7.34498 1.91124 None 4HcyHba 3.43808e+05 2.58920e+06 20.75374 141.16088 1.00000 None parabolic box sum
137 391 4.11967 1.91253 3IleHa 4HcyHba 3.94401e+05 2.96612e+06 20.92242 71.03790 1.00000 None parabolic box sum
138 163 8.29460 1.90974 4HcyH 4HcyHba 1.73781e+06 1.28229e+07 18.40293 78.00519 1.00000 None parabolic box sum
139 689 4.40441 1.91105 4HcyHa 4HcyHba 4.44443e+06 3.20729e+07 17.48145 78.71655 1.00000 None parabolic box sum
140 692 2.49264 1.91387 4HcyHga 4HcyHba 2.83225e+06 2.10869e+07 23.98252 80.94193 1.00000 None parabolic box sum
141 355 6.85699 1.91311 5HisHd2 4HcyHba 6.31005e+05 3.84921e+06 11.00928 116.39950 1.00000 None parabolic box sum
142 529 4.47832 1.91303 13CysHa 4HcyHba 2.36230e+05 1.74479e+06 32.51076 137.41100 1.00000 None parabolic box sum
143 488 2.85990 1.91546 13CysHb* 4HcyHba 1.31240e+06 1.01500e+07 26.37029 87.34054 1.00000 None parabolic box sum
144 162 8.29453 1.96231 4HcyH 4HcyHbb 1.24748e+06 9.23556e+06 18.02355 88.65415 1.00000 None parabolic box sum
145 688 4.40454 1.96307 4HcyHa 4HcyHbb 3.68824e+06 2.80631e+07 21.34085 84.27894 1.00000 None parabolic box sum
146 691 2.49346 1.96339 4HcyHga 4HcyHbb 3.00898e+06 2.24648e+07 25.80822 79.19552 1.00000 None parabolic box sum
147 693 2.64116 1.96411 4HcyHgb 4HcyHbb 1.70204e+06 1.13853e+07 45.35496 75.10149 1.00000 None parabolic box sum
148 354 6.85702 1.96485 5HisHd2 4HcyHbb 6.29275e+05 3.76856e+06 10.69188 116.48973 1.00000 None parabolic box sum
149 761 4.47566 1.96666 13CysHa 4HcyHbb 2.54411e+05 1.91560e+06 33.32138 136.13096 1.00000 None parabolic box sum
150 487 2.86061 1.96440 13CysHb* 4HcyHbb 2.19475e+06 1.65589e+07 26.39651 70.82333 1.00000 None parabolic box sum
151 479 4.11800 2.48287 3IleHa 4HcyHga 2.72075e+05 2.03151e+06 20.20299 29.91249 1.00000 None parabolic box sum
152 161 8.29475 2.48133 4HcyH 4HcyHga 8.01627e+05 5.87933e+06 18.58890 37.34510 1.00000 None parabolic box sum
153 690 4.40419 2.48262 4HcyHa 4HcyHga 2.12144e+06 1.68246e+07 27.07601 33.46774 1.00000 None parabolic box sum
154 564 1.91308 2.48039 4HcyHba 4HcyHga 2.82629e+06 2.21707e+07 65.67895 37.40333 1.00000 None parabolic box sum
155 563 1.95433 2.48055 4HcyHbb 4HcyHga 3.62510e+06 2.76418e+07 60.88495 37.95364 1.00000 None parabolic box sum
156 347 7.78202 2.48369 5HisH 4HcyHga 1.90490e+05 1.10511e+06 9.94265 37.58275 1.00000 None parabolic box sum
157 357 6.85670 2.48511 5HisHd2 4HcyHga 8.02250e+05 4.86038e+06 11.30283 55.21107 1.00000 None parabolic box sum
158 476 4.47750 2.48035 13CysHa 4HcyHga 5.34620e+05 4.09515e+06 17.04454 30.74661 1.00000 None parabolic box sum
159 482 2.85995 2.47949 13CysHb* 4HcyHga 1.16643e+06 8.53173e+06 23.98431 32.35872 1.00000 None parabolic box sum
160 478 4.11706 2.63801 3IleHa 4HcyHgb 1.78014e+05 1.03883e+06 13.98146 27.74062 1.00000 None parabolic box sum
161 160 8.29471 2.64073 4HcyH 4HcyHgb 5.22079e+05 3.75101e+06 18.18255 37.02929 1.00000 None parabolic box sum
162 566 1.91393 2.64126 4HcyHba 4HcyHgb 3.17993e+06 2.52495e+07 64.41116 37.56648 1.00000 None parabolic box sum
163 565 1.95453 2.64112 4HcyHbb 4HcyHgb 3.49825e+06 2.69646e+07 62.41322 37.03296 1.00000 None parabolic box sum
164 346 7.78486 2.64987 5HisH 4HcyHgb 3.00248e+05 1.75551e+06 10.60158 44.22740 1.00000 None parabolic box sum
165 474 4.47700 2.64255 13CysHa 4HcyHgb 5.78278e+05 4.16230e+06 21.04759 35.40406 1.00000 None parabolic box sum
166 477 2.85925 2.64472 13CysHb* 4HcyHgb 1.82921e+06 1.40567e+07 29.51205 46.79167 1.00000 None parabolic box sum
167 344 7.78054 4.53173 5HisH 5HisHa 4.35693e+05 2.63226e+06 10.61469 76.29445 1.00000 None parabolic box sum
168 576 2.91896 4.54198 5HisHba 5HisHa 4.87963e+06 3.28760e+07 54.57997 29.38474 1.00000 None parabolic box sum
169 577 2.94878 4.54226 5HisHbb 5HisHa 7.57240e+06 5.52433e+07 47.47570 42.05973 1.00000 None None box sum
170 165 7.97988 4.54282 6ValH 5HisHa 2.28381e+06 1.63082e+07 19.49251 32.49984 1.00000 None parabolic box sum
171 370 7.78255 2.95504 5HisH 5HisHbb 1.47798e+06 9.21803e+06 10.90556 67.37668 1.00000 None parabolic box sum
172 343 6.85629 2.94664 5HisHd2 5HisHbb 5.96392e+06 4.00835e+07 11.89023 68.62629 1.00000 None None box sum
173 98 7.97993 2.94328 6ValH 5HisHbb 5.23013e+05 4.07270e+06 20.89232 58.76895 1.00000 None None box sum
174 436 3.90210 2.94353 6ValHa 5HisHbb 4.35748e+05 3.02111e+06 22.49360 84.84237 1.00000 None parabolic box sum
175 798 4.53849 3.89906 None 6ValHa 3.37112e+05 1.55277e+06 122.70033 12.47827 1.00000 None parabolic box sum
176 440 2.91748 3.90107 5HisHba 6ValHa 1.87009e+05 1.20682e+06 20.37585 38.18290 1.00000 None parabolic box sum
177 438 2.95182 3.90423 5HisHbb 6ValHa 2.30156e+05 1.66300e+06 26.37148 31.76382 1.00000 None parabolic box sum
178 573 1.87256 3.90338 6ValHb 6ValHa 2.17292e+06 1.63169e+07 29.03879 33.25685 1.00000 None parabolic box sum
179 645 0.69426 3.90254 6ValHga* 6ValHa 4.87810e+06 3.32272e+07 15.79523 32.91743 1.00000 None parabolic box sum
180 643 0.73268 3.90382 6ValHgb* 6ValHa 4.00563e+06 2.78647e+07 16.42048 31.46794 1.00000 None parabolic box sum
181 100 8.52931 3.90297 7HisH 6ValHa 5.58618e+05 3.99527e+06 20.74331 32.23072 1.00000 None parabolic box sum
182 439 2.96460 3.90367 7HisHba 6ValHa 2.11157e+05 1.50856e+06 29.83391 31.10439 1.00000 None parabolic box sum
183 471 3.00501 3.90153 7HisHbb 6ValHa 1.58216e+05 1.09986e+06 18.81182 33.28833 1.00000 None parabolic box sum
184 170 6.85295 3.90083 7HisHd2 6ValHa 4.58371e+05 2.50425e+06 11.54602 30.36155 1.00000 None parabolic box sum
185 531 4.47778 3.89990 13CysHa 6ValHa 3.62116e+05 1.83303e+06 121.66202 18.19122 1.00000 None parabolic box sum
186 441 2.85967 3.90213 13CysHb* 6ValHa 2.72685e+05 1.99575e+06 27.29535 33.41633 1.00000 None parabolic box sum
187 764 7.78369 1.86876 5HisH 6ValHb 1.69673e+05 1.05430e+06 12.01928 131.84284 1.00000 None parabolic box sum
188 166 7.97938 1.86726 6ValH 6ValHb 1.19295e+06 8.90188e+06 20.85850 36.66049 1.00000 None parabolic box sum
189 25 0.69464 1.86817 6ValHga* 6ValHb 1.01472e+07 6.45282e+07 12.93123 37.57750 1.00000 None None box sum
190 24 0.73771 1.86817 6ValHgb* 6ValHb 1.14485e+07 6.65799e+07 11.27899 36.42966 1.00000 None None box sum
191 356 6.85371 1.86756 7HisHd2 6ValHb 5.94945e+05 3.79507e+06 11.24918 118.42185 1.00000 None parabolic box sum
192 350 6.85454 0.70216 None 6ValHga* 1.61140e+06 1.01112e+07 11.77728 57.14162 1.00000 None parabolic box sum
193 407 2.54513 0.70428 None 6ValHga* 2.40477e+05 1.78976e+06 19.26243 53.78624 1.00000 None parabolic box sum
194 388 3.90232 0.69918 6ValHa 6ValHga* 6.97251e+06 5.13248e+07 19.28031 57.27120 1.00000 None parabolic box sum
195 413 1.86509 0.69966 6ValHb 6ValHga* 5.76908e+06 4.48146e+07 28.26273 58.80829 1.00000 None parabolic box sum
196 400 3.00187 0.69947 11TrpHba 6ValHga* 5.67853e+05 4.06911e+06 24.28293 53.55069 1.00000 None parabolic box sum
197 795 3.09835 0.69676 11TrpHbb 6ValHga* 2.53163e+05 1.26683e+06 10.65373 50.15859 1.00000 None parabolic box sum
198 523 4.25081 0.70338 12ProHa 6ValHga* 6.83660e+05 1.61135e+06 27.10998 20.02839 1.00000 None parabolic box sum
199 528 4.47676 0.70188 13CysHa 6ValHga* 2.63458e+05 1.89431e+06 37.66537 21.61165 1.00000 None parabolic box sum
200 402 2.85986 0.70234 13CysHb* 6ValHga* 5.96484e+05 4.39188e+06 23.88000 61.00429 1.00000 None parabolic box sum
201 158 7.73694 0.70099 (8Arg/7His)H 6ValHga* 9.36112e+05 5.69728e+06 12.44217 55.40045 1.00000 None parabolic box sum
202 349 6.85444 0.72538 None 6ValHgb* 1.63778e+06 1.03600e+07 11.65599 56.75184 1.00000 None parabolic box sum
203 404 2.54745 0.72737 None 6ValHgb* 2.37436e+05 1.58397e+06 18.12637 48.35815 1.00000 None parabolic box sum
204 167 7.97961 0.73148 6ValH 6ValHgb* 1.55119e+06 1.14020e+07 19.86399 51.29227 1.00000 None parabolic box sum
205 387 3.90236 0.72790 6ValHa 6ValHgb* 6.06686e+06 4.49920e+07 19.35482 60.72625 1.00000 None parabolic box sum
206 412 1.86100 0.72894 6ValHb 6ValHgb* 5.72522e+06 4.53949e+07 27.47893 59.30247 1.00000 None parabolic box sum
207 398 3.00096 0.72796 11TrpHba 6ValHgb* 5.29386e+05 4.24383e+06 87.59201 55.11454 1.00000 None parabolic box sum
208 794 3.09817 0.71775 11TrpHbb 6ValHgb* 2.35922e+05 1.14322e+06 11.27481 51.74605 1.00000 None parabolic box sum
209 522 4.25270 0.73313 12ProHa 6ValHgb* 5.40682e+05 6.25819e+05 40.82680 13.67017 1.00000 None parabolic box sum
210 527 4.47674 0.73430 13CysHa 6ValHgb* 4.06556e+05 -4.00475e+06 143.57030 14.72883 1.00000 None parabolic box sum
211 397 2.85993 0.72966 13CysHb* 6ValHgb* 8.01629e+05 5.92155e+06 24.78302 53.63201 1.00000 None parabolic box sum
212 157 7.73681 0.72562 (8Arg/7His)H 6ValHgb* 8.75297e+05 5.27382e+06 11.66254 56.96850 1.00000 None parabolic box sum
213 575 2.95505 4.52470 7HisHba 7HisHa 6.67607e+06 5.47525e+07 30.92766 47.77583 1.00000 None None box sum
214 574 3.01023 4.52554 7HisHbb 7HisHa 6.07904e+06 4.05536e+07 16.56950 33.63247 1.00000 None None box sum
215 173 7.73703 2.95597 (7His/8Arg)(He1/H) 7HisHba 1.84281e+06 1.17624e+07 12.73006 85.43308 1.00000 None parabolic box sum
216 285 7.08847 2.96678 (14Trp/11Trp)Hh2 7HisHba 4.82852e+05 3.54560e+06 22.29869 88.81049 1.00000 None parabolic box sum
217 437 3.90369 2.99759 6ValHa 7HisHbb 2.54561e+05 1.92743e+06 19.51754 168.81599 1.00000 None parabolic box sum
218 169 6.85211 3.00937 7HisHd2 7HisHbb 4.61621e+06 2.73110e+07 10.53184 106.35068 1.00000 None parabolic box sum
219 284 7.08836 3.00377 (11Trp/14Trp)Hh2 7HisHbb 4.70016e+05 3.52350e+06 32.53937 90.28988 1.00000 None parabolic box sum
220 526 0.69486 4.53577 6ValHga* 8ArgHa 1.08811e+06 7.71106e+06 16.08789 53.63988 1.00000 None parabolic box sum
221 525 0.73005 4.53419 6ValHgb* 8ArgHa 1.04714e+06 7.52802e+06 16.79063 32.53132 1.00000 None parabolic box sum
222 581 1.33087 4.53410 8ArgHba 8ArgHa 1.32382e+06 9.81273e+06 39.14893 32.96464 1.00000 None parabolic box sum
223 580 1.47877 4.53403 8ArgHbb 8ArgHa 1.80471e+06 1.37663e+07 40.96627 33.41580 1.00000 None parabolic box sum
224 579 2.49738 4.53399 8ArgHda 8ArgHa 7.81499e+05 5.89528e+06 28.03266 39.52169 1.00000 None parabolic box sum
225 578 2.63486 4.53357 8ArgHdb 8ArgHa 1.24882e+06 9.68814e+06 39.42370 34.50908 1.00000 None parabolic box sum
226 583 0.99358 4.53351 8ArgHga 8ArgHa 5.68325e+05 4.33143e+06 40.37917 32.40489 1.00000 None parabolic box sum
227 582 1.10303 4.53385 8ArgHgb 8ArgHa 9.04982e+05 6.90092e+06 33.09906 32.80411 1.00000 None parabolic box sum
228 486 4.17594 4.53491 9ProHa 8ArgHa 6.55911e+05 4.90123e+06 24.99640 28.79350 1.00000 None parabolic box sum
229 432 2.14098 4.53538 9ProHbb 8ArgHa 1.95372e+05 1.47773e+06 27.53675 34.62135 1.00000 None parabolic box sum
230 102 3.48597 4.53373 9ProHda 8ArgHa 8.02435e+06 6.06615e+07 24.66977 32.91271 1.00000 None parabolic box sum
231 101 3.53811 4.53373 9ProHdb 8ArgHa 8.59073e+06 6.15088e+07 21.58701 32.88438 1.00000 None parabolic box sum
232 431 1.86458 4.53450 9ProHga 8ArgHa 7.43022e+05 5.87225e+06 45.63332 37.61737 1.00000 None parabolic box sum
233 202 7.67138 4.53322 11TrpH 8ArgHa 3.20081e+05 2.51835e+06 21.54619 35.67423 1.00000 None parabolic box sum
234 352 6.85263 1.31986 7HisHd2 8ArgHba 6.59579e+05 3.85562e+06 10.99646 44.34124 1.00000 None parabolic box sum
235 179 7.73658 1.32220 8ArgH 8ArgHba 1.05325e+06 7.52163e+06 17.69423 39.71002 1.00000 None parabolic box sum
236 748 2.49927 1.32089 8ArgHda 8ArgHba 5.96507e+05 4.58302e+06 32.50003 45.18533 1.00000 None parabolic box sum
237 749 2.63426 1.32324 8ArgHdb 8ArgHba 6.66095e+05 5.48637e+06 39.56378 45.94234 1.00000 None parabolic box sum
238 633 0.98938 1.31559 8ArgHga 8ArgHba 2.19926e+06 1.81177e+07 130.46205 48.80459 1.00000 None parabolic box sum
239 632 1.10513 1.31499 8ArgHgb 8ArgHba 3.78106e+06 3.03836e+07 115.73374 48.48458 1.00000 None parabolic box sum
240 449 3.48631 1.32200 9ProHda 8ArgHba 7.56998e+05 5.80166e+06 21.82543 39.04692 1.00000 None parabolic box sum
241 448 3.53826 1.32327 9ProHdb 8ArgHba 1.03535e+06 7.85353e+06 24.87957 38.96456 1.00000 None parabolic box sum
242 88 8.60685 1.32396 10AspH 8ArgHba 4.63840e+05 3.52618e+06 19.52142 41.79061 1.00000 None None box sum
243 149 6.94986 1.32517 11Trp(Hz3/Hd1) 8ArgHba 1.06594e+06 6.28706e+06 10.73688 44.53849 1.00000 None None box sum
244 210 7.67187 1.32322 11TrpH 8ArgHba 7.88435e+05 5.98076e+06 18.57191 40.27030 1.00000 None parabolic box sum
245 707 9.82958 1.32159 11TrpHe1 8ArgHba 2.38111e+05 1.36487e+06 11.54825 39.48339 1.00000 None parabolic box sum
246 225 7.34038 1.32121 11TrpHe3 8ArgHba 6.77875e+05 4.70690e+06 21.65973 41.74549 1.00000 None parabolic box sum
247 778 2.54523 1.33685 15TyrHba 8ArgHba 2.13762e+05 1.65788e+06 174.82400 62.66991 1.00000 None parabolic box sum
248 353 6.85382 1.48228 None 8ArgHbb 4.43695e+05 2.65901e+06 11.74390 74.55958 1.00000 None parabolic box sum
249 178 7.73582 1.48428 8ArgH 8ArgHbb 6.39465e+05 4.53750e+06 17.71063 45.21471 1.00000 None parabolic box sum
250 740 2.50026 1.48670 8ArgHda 8ArgHbb 6.85433e+05 5.31308e+06 31.33535 42.28216 1.00000 None parabolic box sum
251 738 2.63866 1.48968 8ArgHdb 8ArgHbb 1.07217e+06 8.39631e+06 36.33261 42.08177 1.00000 None parabolic box sum
252 631 0.97467 1.48498 8ArgHga 8ArgHbb 1.47425e+06 1.13743e+07 27.04620 39.05374 1.00000 None None box sum
253 630 1.10501 1.48450 8ArgHgb 8ArgHbb 1.78470e+06 1.36784e+07 23.12541 43.01556 1.00000 None parabolic box sum
254 447 3.47782 1.49276 9ProHda 8ArgHbb 1.23773e+06 9.93541e+06 52.46580 43.61729 1.00000 None parabolic box sum
255 446 3.53872 1.48627 9ProHdb 8ArgHbb 1.41155e+06 1.06154e+07 23.28455 39.27460 1.00000 None parabolic box sum
256 89 8.60685 1.48668 10AspH 8ArgHbb 7.62390e+05 5.80013e+06 19.39043 38.77623 1.00000 None None box sum
257 209 7.67163 1.48580 11TrpH 8ArgHbb 8.84560e+05 6.58121e+06 18.08286 41.72241 1.00000 None parabolic box sum
258 706 9.83135 1.49014 11TrpHe1 8ArgHbb 2.89862e+05 1.77321e+06 10.45629 53.42636 1.00000 None parabolic box sum
259 227 7.34447 1.49183 11TrpHe3 8ArgHbb 8.99048e+05 7.00086e+06 20.99961 44.52328 1.00000 None parabolic box sum
260 176 7.73635 2.49101 8ArgH 8ArgHda 4.09980e+05 2.37189e+06 12.35515 50.36896 1.00000 None parabolic box sum
261 420 1.32521 2.49848 8ArgHba 8ArgHda 4.56452e+05 3.28668e+06 36.53169 40.06938 1.00000 None parabolic box sum
262 419 1.48137 2.49809 8ArgHbb 8ArgHda 4.14322e+05 3.09419e+06 46.05472 42.50093 1.00000 None parabolic box sum
263 585 0.98431 2.49174 8ArgHga 8ArgHda 8.82140e+05 6.96444e+06 37.52470 39.55474 1.00000 None parabolic box sum
264 587 1.10229 2.49127 8ArgHgb 8ArgHda 1.35116e+06 1.07779e+07 30.33459 37.83298 1.00000 None parabolic box sum
265 783 3.48781 2.48782 9ProHda 8ArgHda 1.10693e+05 5.35729e+05 19.93537 21.54660 1.00000 None parabolic box sum
266 782 3.53931 2.48890 9ProHdb 8ArgHda 1.33056e+05 8.33271e+05 20.93256 51.20833 1.00000 None parabolic box sum
267 719 9.83068 2.49543 11TrpHe1 8ArgHda 4.26776e+05 2.70149e+06 11.88420 65.84483 1.00000 None parabolic box sum
268 175 7.73688 2.64324 8ArgH 8ArgHdb 4.44560e+05 2.62921e+06 11.77430 42.79943 1.00000 None parabolic box sum
269 572 4.53388 2.64334 8ArgHa 8ArgHdb 7.39930e+05 5.53745e+06 24.13929 35.53626 1.00000 None parabolic box sum
270 421 1.32852 2.64218 8ArgHba 8ArgHdb 6.16475e+05 4.63595e+06 34.33764 37.67770 1.00000 None parabolic box sum
271 418 1.48373 2.64482 8ArgHbb 8ArgHdb 7.81865e+05 6.15679e+06 45.56775 39.58464 1.00000 None parabolic box sum
272 584 0.97822 2.64007 8ArgHga 8ArgHdb 5.88214e+05 4.59289e+06 55.93657 37.29002 1.00000 None parabolic box sum
273 588 1.10173 2.64225 8ArgHgb 8ArgHdb 1.30550e+06 1.00711e+07 31.80861 35.41455 1.00000 None parabolic box sum
274 445 3.48387 2.64851 9ProHda 8ArgHdb 3.61307e+05 2.82247e+06 50.91727 42.84664 1.00000 None parabolic box sum
275 444 3.53829 2.64888 9ProHdb 8ArgHdb 3.67773e+05 2.79590e+06 23.02051 40.54729 1.00000 None parabolic box sum
276 718 9.83037 2.65354 11TrpHe1 8ArgHdb 6.88588e+05 4.10159e+06 10.77548 46.38773 1.00000 None parabolic box sum
277 139 6.85617 0.98930 None 8ArgHga 5.30915e+05 3.35112e+06 11.57641 40.47228 1.00000 None parabolic box sum
278 768 7.78637 0.99555 None 8ArgHga 2.09719e+05 9.58761e+05 7.98970 79.62727 1.00000 None parabolic box sum
279 182 7.73751 0.98828 8ArgH 8ArgHga 4.78123e+05 3.19000e+06 14.67139 45.46232 1.00000 None parabolic box sum
280 755 1.50053 0.99009 8ArgHbb 8ArgHga 1.78330e+06 1.27152e+07 24.03498 41.89920 1.00000 None parabolic box sum
281 742 2.49998 0.99041 8ArgHda 8ArgHga 1.41252e+06 1.05733e+07 28.96309 42.93530 1.00000 None parabolic box sum
282 466 3.48732 0.99257 9ProHda 8ArgHga 2.01979e+05 1.49976e+06 24.12975 40.83425 1.00000 None parabolic box sum
283 467 3.53978 0.98762 9ProHdb 8ArgHga 2.61726e+05 2.02491e+06 30.60102 39.45769 1.00000 None parabolic box sum
284 198 8.60817 0.98958 10AspH 8ArgHga 2.37961e+05 1.86946e+06 20.66016 43.44679 1.00000 None parabolic box sum
285 212 7.67283 0.98914 11TrpH 8ArgHga 4.44254e+05 3.38077e+06 18.67831 41.76281 1.00000 None parabolic box sum
286 504 2.96709 0.98701 11TrpHba 8ArgHga 4.94807e+05 3.88547e+06 35.77888 165.71295 1.00000 None parabolic box sum
287 551 3.00187 0.98902 11TrpHba 8ArgHga 6.53604e+05 4.98797e+06 22.10438 48.77363 1.00000 None parabolic box sum
288 550 3.09926 0.98954 11TrpHbb 8ArgHga 4.36871e+05 2.97269e+06 15.44654 40.71202 1.00000 None parabolic box sum
289 711 9.83203 0.98122 11TrpHe1 8ArgHga 1.77464e+05 1.06458e+06 11.96921 40.85314 1.00000 None parabolic box sum
290 138 6.95060 0.98917 11TrpHz3 8ArgHga 5.50659e+05 3.52565e+06 12.71725 44.30767 1.00000 None parabolic box sum
291 503 2.96818 1.11167 None 8ArgHgb 6.09267e+05 4.78697e+06 67.95824 88.69455 1.00000 None parabolic box sum
292 766 7.78470 1.11344 None 8ArgHgb 1.97571e+05 9.76611e+05 8.87752 129.90390 1.00000 None parabolic box sum
293 351 6.85278 1.11017 7HisHd2 8ArgHgb 9.11961e+05 5.09428e+06 10.30475 39.64078 1.00000 None parabolic box sum
294 180 7.73768 1.10985 8ArgH 8ArgHgb 6.77954e+05 4.69052e+06 16.16567 77.13224 1.00000 None parabolic box sum
295 753 1.49188 1.11682 8ArgHbb 8ArgHgb 1.51060e+06 1.26822e+07 29.00422 88.69350 1.00000 None parabolic box sum
296 741 2.49851 1.10999 8ArgHda 8ArgHgb 1.68178e+06 1.24805e+07 27.13442 39.43356 1.00000 None parabolic box sum
297 743 2.63413 1.11149 8ArgHdb 8ArgHgb 1.45480e+06 1.04150e+07 34.28400 39.36169 1.00000 None parabolic box sum
298 744 2.65289 1.11048 8ArgHdb 8ArgHgb 1.25696e+06 8.53756e+06 37.19270 37.56544 1.00000 None parabolic box sum
299 465 3.48805 1.10771 9ProHda 8ArgHgb 2.66476e+05 1.99730e+06 24.09339 45.79650 1.00000 None parabolic box sum
300 785 8.60370 1.11421 10AspH 8ArgHgb 1.60674e+05 1.16903e+06 21.46661 44.01756 1.00000 None parabolic box sum
301 211 7.67274 1.11115 11TrpH 8ArgHgb 2.43801e+05 1.87192e+06 20.38151 47.96050 1.00000 None parabolic box sum
302 710 9.82840 1.10912 11TrpHe1 8ArgHgb 1.32890e+05 8.73117e+05 13.19952 67.59911 1.00000 None parabolic box sum
303 249 7.33625 1.11152 11TrpHe3 8ArgHgb 3.43196e+05 2.67888e+06 26.48205 50.05682 1.00000 None None box sum
304 147 6.95097 1.10995 11TrpHz3 8ArgHgb 5.65350e+05 3.65184e+06 13.50373 48.33874 1.00000 None None box sum
305 223 7.34549 1.11524 14TrpHz2 8ArgHgb 4.14676e+05 2.96028e+06 24.13064 80.58520 1.00000 None parabolic box sum
306 683 0.73104 4.16792 None 9ProHa 7.11840e+05 4.93847e+06 42.58394 88.05506 1.00000 None parabolic box sum
307 369 7.73710 4.17677 8ArgH 9ProHa 4.46181e+05 2.44540e+06 10.88411 31.73339 1.00000 None parabolic box sum
308 591 1.83618 4.17774 9ProHba 9ProHa 2.35401e+06 1.82367e+07 57.81233 34.33859 1.00000 None parabolic box sum
309 32 2.13930 4.18022 9ProHbb 9ProHa 3.91676e+06 2.90409e+07 30.65705 30.17217 1.00000 None None box sum
310 30 3.48316 4.17970 9ProHda 9ProHa 6.62349e+05 4.88330e+06 23.92232 31.43017 1.00000 None None box sum
311 597 3.53807 4.17804 9ProHdb 9ProHa 6.09065e+05 4.34110e+06 20.80381 31.12643 1.00000 None parabolic box sum
312 592 1.86222 4.17826 9ProHga 9ProHa 2.05474e+06 1.61151e+07 60.76574 32.82510 1.00000 None None box sum
313 93 8.60743 4.17920 10AspH 9ProHa 3.11211e+06 2.26346e+07 19.70544 31.30322 1.00000 None None box sum
314 203 7.67148 4.17720 11TrpH 9ProHa 8.04286e+05 5.68584e+06 18.34482 30.87462 1.00000 None parabolic box sum
315 253 7.34493 1.83826 None 9ProHba 5.44085e+05 4.36026e+06 19.48953 56.78594 1.00000 None parabolic box sum
316 197 8.60801 1.82860 10AspH 9ProHba 1.06688e+06 8.59329e+06 20.14503 77.10234 1.00000 None None box sum
317 208 7.67079 1.82947 11TrpH 9ProHba 3.49880e+05 2.57296e+06 17.96573 73.74906 1.00000 None parabolic box sum
318 548 2.54138 1.84316 15TyrHba 9ProHba 2.06903e+05 1.13159e+06 11.30462 42.70290 1.00000 None parabolic box sum
319 547 2.65500 1.84601 15TyrHbb 9ProHba 2.14749e+05 1.47143e+06 24.03080 171.37659 1.00000 None parabolic box sum
320 664 1.83481 2.13582 9ProHba 9ProHbb 1.40973e+07 1.11566e+08 58.22599 39.05007 1.00000 None parabolic box sum
321 731 3.48744 2.13598 9ProHda 9ProHbb 1.17798e+06 8.51760e+06 25.45178 37.33566 1.00000 None parabolic box sum
322 730 3.53833 2.13558 9ProHdb 9ProHbb 1.06471e+06 7.69539e+06 19.25409 37.97620 1.00000 None parabolic box sum
323 665 1.86681 2.13485 9ProHga 9ProHbb 9.55564e+06 7.89419e+07 66.10870 38.56061 1.00000 None None box sum
324 195 8.60578 2.13698 10AspH 9ProHbb 5.27392e+05 3.72561e+06 20.30015 37.04135 1.00000 None parabolic box sum
325 791 7.66869 2.13418 11TrpH 9ProHbb 1.87979e+05 1.32072e+06 16.63506 35.42714 1.00000 None parabolic box sum
326 186 7.73663 3.48148 8ArgH 9ProHda 4.04059e+05 2.90363e+06 17.90196 37.09959 1.00000 None parabolic box sum
327 373 1.33378 3.48381 8ArgHba 9ProHda 3.34889e+05 2.63479e+06 38.89799 88.26227 1.00000 None parabolic box sum
328 443 2.65407 3.46007 8ArgHdb 9ProHda 2.81175e+05 2.01375e+06 25.88093 45.09825 1.00000 None parabolic box sum
329 590 1.83605 3.48412 9ProHba 9ProHda 3.06295e+06 2.45920e+07 57.24132 45.57616 1.00000 None None box sum
330 33 2.13843 3.49107 9ProHbb 9ProHda 8.76315e+05 6.84992e+06 28.81289 38.70540 1.00000 None None box sum
331 34 1.85954 3.49107 9ProHga 9ProHda 3.16923e+06 2.64021e+07 52.60944 87.99997 1.00000 None None box sum
332 191 8.60705 3.48240 10AspH 9ProHda 5.48079e+05 4.12456e+06 19.76624 92.40404 1.00000 None parabolic box sum
333 594 0.73921 3.47964 (6Val/3Ile)(Hgb*/Hd1*) 9ProHda 4.53246e+05 3.34570e+06 16.32392 28.63770 1.00000 None parabolic box sum
334 185 7.73560 3.54373 8ArgH 9ProHdb 2.60506e+05 1.75488e+06 16.13915 36.78010 1.00000 None parabolic box sum
335 372 1.32997 3.54137 8ArgHba 9ProHdb 5.88456e+05 4.47063e+06 43.52331 35.59449 1.00000 None parabolic box sum
336 374 1.47823 3.54031 8ArgHbb 9ProHdb 6.83249e+05 5.27048e+06 45.96353 38.35654 1.00000 None parabolic box sum
337 442 2.65768 3.54271 8ArgHdb 9ProHdb 1.92990e+05 1.22276e+06 35.99286 29.99275 1.00000 None parabolic box sum
338 589 1.83661 3.54315 9ProHba 9ProHdb 2.91639e+06 2.29498e+07 57.41656 88.42753 1.00000 None None box sum
339 35 2.13841 3.54299 9ProHbb 9ProHdb 6.33543e+05 4.85328e+06 27.72570 85.82076 1.00000 None None box sum
340 36 1.85707 3.54424 9ProHga 9ProHdb 3.48359e+06 2.84547e+07 51.35715 84.40065 1.00000 None None box sum
341 190 8.60719 3.54234 10AspH 9ProHdb 1.31295e+06 9.74237e+06 19.55375 34.71578 1.00000 None parabolic box sum
342 204 7.67104 3.54147 11TrpH 9ProHdb 2.02624e+05 1.57359e+06 19.03892 39.85586 1.00000 None parabolic box sum
343 596 0.73689 3.53969 (3Ile/6Val)(Hd1*/Hgb*) 9ProHdb 2.91725e+05 1.92054e+06 14.78970 22.92632 1.00000 None parabolic box sum
344 733 3.48808 1.86942 9ProHda 9ProHga 4.66374e+06 3.54221e+07 23.02229 54.02494 1.00000 None parabolic box sum
345 732 3.53965 1.87022 9ProHdb 9ProHga 4.36401e+06 3.48864e+07 29.14190 54.34127 1.00000 None parabolic box sum
346 196 8.60688 1.86394 10AspH 9ProHga 1.22005e+06 9.86093e+06 20.37704 72.93067 1.00000 None parabolic box sum
347 187 7.67127 8.60699 11TrpH 10AspH 4.37624e+06 3.16150e+07 18.23574 33.71824 1.00000 None parabolic box sum
348 189 8.60719 4.38687 10AspH 10AspHa 1.81445e+06 1.71658e+07 28.18406 31.69248 1.00000 None None box sum
349 84 7.67113 4.38866 11TrpH 10AspHa 1.96166e+06 1.44541e+07 18.51529 34.31813 1.00000 None None box sum
350 511 4.91158 4.37964 11TrpHa 10AspHa 1.99484e+05 1.40223e+06 16.94173 35.42400 1.00000 None parabolic box sum
351 237 6.95127 4.39666 11TrpHd1 10AspHa 5.29725e+05 3.35417e+06 12.01510 47.03247 1.00000 None parabolic box sum
352 194 8.60582 2.52989 10AspH 10AspHba 1.86421e+06 1.35991e+07 20.20583 37.71547 1.00000 None parabolic box sum
353 96 7.67155 2.53225 11TrpH 10AspHba 6.64875e+05 5.13953e+06 56.27960 38.90003 1.00000 None None box sum
354 193 8.60571 2.67039 10AspH 10AspHbb 1.52390e+06 1.11243e+07 20.15159 38.03706 1.00000 None parabolic box sum
355 97 7.67328 2.66852 11TrpH 10AspHbb 7.32926e+05 5.53262e+06 21.36439 40.81170 1.00000 None None box sum
356 168 8.60713 7.67111 10AspH 11TrpH 3.93753e+06 2.89238e+07 19.94476 32.29472 1.00000 None parabolic box sum
357 510 4.38361 4.91951 10AspHa 11TrpHa 3.37012e+05 2.32066e+06 26.48115 34.83985 1.00000 None parabolic box sum
358 201 7.67437 4.91353 11TrpH 11TrpHa 3.07526e+06 2.09795e+07 16.58410 36.26677 1.00000 None parabolic box sum
359 72 2.98874 4.91494 11TrpHba 11TrpHa 1.91336e+06 1.64315e+07 56.23400 39.97259 1.00000 None None box sum
360 495 3.00381 4.91229 11TrpHba 11TrpHa 4.22977e+06 3.08400e+07 40.77613 36.63898 1.00000 None parabolic box sum
361 71 3.11310 4.91517 11TrpHbb 11TrpHa 5.42761e+05 8.79525e+06 147.82012 29.96993 1.00000 None None box sum
362 235 6.95091 4.91222 11TrpHd1 11TrpHa 8.99027e+06 4.96119e+07 10.15663 35.77863 1.00000 None parabolic box sum
363 699 9.83075 4.91123 11TrpHe1 11TrpHa 4.01007e+05 2.39118e+06 11.31676 36.21799 1.00000 None parabolic box sum
364 120 7.34302 4.91366 11TrpHe3 11TrpHa 1.33913e+06 1.05282e+07 20.08021 35.78912 1.00000 None parabolic box sum
365 26 3.45413 4.91239 12ProHdb 11TrpHa 4.61627e+06 3.58867e+07 29.34456 36.02309 1.00000 None parabolic box sum
366 490 1.50639 4.91516 12ProHga 11TrpHa 2.06167e+05 1.53012e+06 34.62255 37.76820 1.00000 None parabolic box sum
367 491 1.63476 4.91504 12ProHgb 11TrpHa 1.82619e+05 1.39738e+06 34.28876 34.66856 1.00000 None parabolic box sum
368 493 2.53939 4.91614 15TyrHba 11TrpHa 2.08553e+05 1.26398e+06 13.70668 32.06967 1.00000 None parabolic box sum
369 492 2.65567 4.91938 15TyrHbb 11TrpHa 1.73334e+05 1.24155e+06 18.15379 41.97606 1.00000 None parabolic box sum
370 502 0.98868 2.97331 8ArgHga 11TrpHba 3.12268e+05 2.49499e+06 159.76071 54.71479 1.00000 None parabolic box sum
371 192 8.60862 2.98744 10AspH 11TrpHba 2.73420e+05 1.97850e+06 18.63509 47.60114 1.00000 None parabolic box sum
372 207 7.67166 2.98640 11TrpH 11TrpHba 5.46897e+06 4.09639e+07 18.46075 40.44657 1.00000 None parabolic box sum
373 240 6.95013 2.99065 11TrpHd1 11TrpHba 4.12615e+06 2.69595e+07 12.72231 60.33857 1.00000 None parabolic box sum
374 722 9.83109 2.99393 11TrpHe1 11TrpHba 3.75077e+05 2.42793e+06 11.79457 70.93980 1.00000 None parabolic box sum
375 108 7.34234 2.98657 11TrpHe3 11TrpHba 3.37861e+06 2.93931e+07 22.16965 54.78194 1.00000 None None box sum
376 430 1.33060 3.11038 8ArgHba 11TrpHbb 3.06139e+05 2.27458e+06 37.78398 36.34992 1.00000 None parabolic box sum
377 784 8.60709 3.10962 10AspH 11TrpHbb 1.45335e+05 1.05156e+06 20.20270 39.44562 1.00000 None parabolic box sum
378 206 7.67162 3.10964 11TrpH 11TrpHbb 3.14081e+06 2.34071e+07 18.52542 38.11260 1.00000 None parabolic box sum
379 239 6.95075 3.11060 11TrpHd1 11TrpHbb 3.87134e+06 2.22533e+07 10.57476 38.36598 1.00000 None parabolic box sum
380 721 9.83127 3.11317 11TrpHe1 11TrpHbb 3.18327e+05 1.89338e+06 11.04929 37.59691 1.00000 None parabolic box sum
381 107 7.34172 3.11275 11TrpHe3 11TrpHbb 2.96024e+06 2.45955e+07 20.81722 39.68012 1.00000 None None box sum
382 470 2.54365 3.11401 15TyrHba 11TrpHbb 4.67830e+05 3.54132e+06 19.38879 45.82588 1.00000 None parabolic box sum
383 497 2.65603 3.11276 15TyrHbb 11TrpHbb 4.48174e+05 3.58926e+06 39.41059 46.71246 1.00000 None parabolic box sum
384 500 2.49307 3.10484 (4Hcy/8Arg)(Hga/Hda) 11TrpHbb 4.56116e+05 3.60763e+06 38.62619 44.21166 1.00000 None parabolic box sum
385 670 8.60631 6.94846 10AspH 11TrpHd1 2.00286e+05 1.41412e+06 20.64824 27.73275 1.00000 None parabolic box sum
386 199 7.67256 6.95081 11TrpH 11TrpHd1 8.47192e+05 5.94927e+06 17.71510 28.72426 1.00000 None parabolic box sum
387 109 9.83309 6.95178 11TrpHe1 11TrpHd1 1.08076e+07 5.94162e+07 11.08721 28.88295 1.00000 None None box sum
388 200 7.67374 7.34285 11TrpH 11TrpHe3 2.45227e+05 1.54486e+06 16.28965 28.35284 1.00000 None parabolic box sum
389 214 9.83142 7.09066 11TrpHe1 11TrpHh2 4.05620e+05 2.35756e+06 11.39961 42.21606 1.00000 None parabolic box sum
390 111 9.83221 7.32535 11TrpHe1 11TrpHz2 3.90396e+06 2.19156e+07 10.90907 31.95058 1.00000 None None box sum
391 368 7.73707 4.25175 None 12ProHa 5.44364e+05 3.12516e+06 11.28644 41.82733 1.00000 None parabolic box sum
392 524 0.70285 4.25213 6ValHga* 12ProHa 5.00329e+05 2.84112e+06 15.96808 26.04719 1.00000 None parabolic box sum
393 792 7.67378 4.25213 11TrpH 12ProHa 1.89895e+05 1.35686e+06 19.60546 37.06916 1.00000 None parabolic box sum
394 648 1.18165 4.25082 12ProHba 12ProHa 8.02563e+05 5.99842e+06 45.73703 32.51191 1.00000 None parabolic box sum
395 652 1.82806 4.25072 12ProHbb 12ProHa 2.87738e+06 2.15538e+07 34.18922 32.64621 1.00000 None parabolic box sum
396 655 3.01262 4.25135 12ProHda 12ProHa 3.61698e+05 2.83031e+06 38.72633 82.26708 1.00000 None parabolic box sum
397 656 3.45461 4.25007 12ProHdb 12ProHa 3.76653e+05 2.96185e+06 29.97994 34.06789 1.00000 None parabolic box sum
398 650 1.50674 4.25059 12ProHga 12ProHa 4.14460e+05 3.06032e+06 25.94292 31.56867 1.00000 None parabolic box sum
399 651 1.63989 4.25070 12ProHgb 12ProHa 5.11551e+05 3.79732e+06 30.06339 33.25213 1.00000 None parabolic box sum
400 257 8.51814 4.25157 13CysH 12ProHa 5.36334e+05 3.88425e+06 25.80225 31.87294 1.00000 None parabolic box sum
401 473 2.85751 4.25010 13CysHb* 12ProHa 3.42968e+05 2.46302e+06 23.72921 32.27374 1.00000 None parabolic box sum
402 703 10.11841 4.24896 14TrpHe1 12ProHa 1.50977e+05 9.61895e+05 14.95138 29.72468 1.00000 None parabolic box sum
403 750 1.82913 1.16917 12ProHbb 12ProHba 6.11151e+06 4.83414e+07 43.21039 39.61140 1.00000 None parabolic box sum
404 752 1.50423 1.16828 12ProHga 12ProHba 2.49864e+06 1.96857e+07 25.80166 44.52223 1.00000 None parabolic box sum
405 751 1.64709 1.16861 12ProHgb 12ProHba 1.04084e+06 8.35223e+06 26.70884 43.15196 1.00000 None parabolic box sum
406 282 7.10971 1.17006 14TrpHd1 12ProHba 7.73225e+05 4.46526e+06 10.64479 40.77235 1.00000 None parabolic box sum
407 714 10.11699 1.16831 14TrpHe1 12ProHba 5.11481e+05 3.10548e+06 12.38070 39.22214 1.00000 None parabolic box sum
408 222 7.34573 1.17065 14TrpHz2 12ProHba 3.33507e+05 2.63557e+06 19.56820 86.77607 1.00000 None parabolic box sum
409 779 2.53533 1.16945 15TyrHba 12ProHba 2.53817e+05 2.01453e+06 23.81980 85.20277 1.00000 None parabolic box sum
410 311 6.70798 1.17227 15TyrHd* 12ProHba 3.13310e+05 1.99103e+06 17.76904 35.25822 1.00000 None parabolic box sum
411 628 1.16922 1.82935 12ProHba 12ProHbb 5.01973e+06 4.21538e+07 47.30225 38.44835 1.00000 None None box sum
412 659 1.50405 1.82816 12ProHga 12ProHbb 2.61155e+06 2.05697e+07 27.09925 41.63638 1.00000 None parabolic box sum
413 658 1.64324 1.82800 12ProHgb 12ProHbb 2.52233e+06 2.02656e+07 31.21793 52.79998 1.00000 None parabolic box sum
414 279 7.10870 1.83055 14TrpHd1 12ProHbb 7.09199e+05 4.05518e+06 10.11133 45.78758 1.00000 None parabolic box sum
415 715 10.11760 1.83019 14TrpHe1 12ProHbb 5.84603e+05 3.64962e+06 12.39307 43.04756 1.00000 None parabolic box sum
416 546 2.54045 1.81802 15TyrHba 12ProHbb 1.81203e+05 9.70516e+05 12.99798 45.63859 1.00000 None parabolic box sum
417 545 2.65419 1.81948 15TyrHbb 12ProHbb 1.98856e+05 1.38871e+06 25.44940 173.54217 1.00000 None parabolic box sum
418 603 1.16348 3.02193 12ProHba 12ProHda 5.27356e+05 4.19965e+06 50.16744 37.66931 1.00000 None parabolic box sum
419 637 1.82903 3.02288 12ProHbb 12ProHda 4.08202e+05 3.05385e+06 34.25777 35.50898 1.00000 None parabolic box sum
420 602 1.50285 3.02105 12ProHga 12ProHda 2.01555e+06 1.62547e+07 40.99429 41.43755 1.00000 None parabolic box sum
421 604 1.64599 3.02688 12ProHgb 12ProHda 9.07652e+05 7.50153e+06 41.79537 62.91281 1.00000 None None box sum
422 238 6.95067 3.45553 11Trp(Hz3/Hd1) 12ProHdb 1.45206e+06 8.14537e+06 10.30892 38.28047 1.00000 None parabolic box sum
423 205 7.67273 3.45665 11TrpH 12ProHdb 9.10783e+05 6.76855e+06 18.02742 38.75419 1.00000 None parabolic box sum
424 514 4.91214 3.45498 11TrpHa 12ProHdb 3.21968e+06 2.43766e+07 24.81312 36.14638 1.00000 None parabolic box sum
425 720 9.82900 3.45242 11TrpHe1 12ProHdb 1.84766e+05 1.15487e+06 11.84635 61.50581 1.00000 None parabolic box sum
426 228 7.34232 3.45568 11TrpHe3 12ProHdb 6.04468e+05 4.68477e+06 21.38019 36.29064 1.00000 None parabolic box sum
427 607 1.16826 3.45801 12ProHba 12ProHdb 3.26718e+05 2.59456e+06 34.76560 40.83950 1.00000 None parabolic box sum
428 608 3.02084 3.45458 12ProHda 12ProHdb 1.31390e+07 1.02516e+08 31.45635 36.59754 1.00000 None parabolic box sum
429 606 1.51014 3.45523 12ProHga 12ProHdb 1.44282e+06 1.11915e+07 35.09700 37.26903 1.00000 None parabolic box sum
430 605 1.63704 3.45316 12ProHgb 12ProHdb 1.57829e+06 1.24905e+07 42.10174 38.63091 1.00000 None parabolic box sum
431 496 2.53938 3.45676 15TyrHba 12ProHdb 2.16545e+05 1.43255e+06 18.60559 33.58473 1.00000 None parabolic box sum
432 515 4.91252 1.51574 11TrpHa 12ProHga 2.57337e+05 1.84998e+06 18.79722 49.10519 1.00000 None parabolic box sum
433 629 1.16400 1.50349 12ProHba 12ProHga 2.18260e+06 1.72159e+07 30.40195 36.91283 1.00000 None parabolic box sum
434 281 7.10814 1.50046 14TrpHd1 12ProHga 4.16257e+05 2.50574e+06 13.91351 49.72579 1.00000 None parabolic box sum
435 717 10.11689 1.50205 14TrpHe1 12ProHga 3.77741e+05 2.25438e+06 11.38538 42.92376 1.00000 None parabolic box sum
436 737 2.54494 1.49807 15TyrHba 12ProHga 4.88973e+05 3.78828e+06 64.42010 44.28826 1.00000 None parabolic box sum
437 226 7.34312 1.64561 11TrpHe3 12ProHgb 4.72079e+05 3.44340e+06 22.63427 45.36317 1.00000 None parabolic box sum
438 625 1.15689 1.63936 12ProHba 12ProHgb 1.30921e+06 9.95086e+06 24.33956 39.02489 1.00000 None parabolic box sum
439 736 3.02409 1.64195 12ProHda 12ProHgb 1.66191e+06 1.31223e+07 55.53782 42.33043 1.00000 None parabolic box sum
440 734 3.44998 1.64103 12ProHdb 12ProHgb 2.11000e+06 1.69252e+07 35.19833 40.36368 1.00000 None parabolic box sum
441 280 7.10616 1.64454 14TrpHd1 12ProHgb 3.73783e+05 2.13494e+06 29.65033 45.90352 1.00000 None parabolic box sum
442 716 10.11768 1.64319 14TrpHe1 12ProHgb 3.06469e+05 1.85712e+06 11.58245 43.70017 1.00000 None parabolic box sum
443 775 2.54493 1.64561 15TyrHba 12ProHgb 2.02747e+05 1.42964e+06 15.29336 44.89050 1.00000 None parabolic box sum
444 776 2.65099 1.64626 15TyrHbb 12ProHgb 1.00866e+05 7.62810e+05 49.39258 66.99843 1.00000 None parabolic box sum
445 728 1.91381 4.47458 4HcyHba 13CysHa 2.97614e+05 2.37982e+06 66.01453 217.76957 1.00000 None parabolic box sum
446 552 1.95848 4.47499 4HcyHbb 13CysHa 3.13859e+05 2.35226e+06 36.35705 148.75403 1.00000 None parabolic box sum
447 345 7.78088 4.47684 5HisH 13CysHa 3.01952e+05 1.91204e+06 13.82232 88.95790 1.00000 None parabolic box sum
448 434 3.90211 4.48037 6ValHa 13CysHa 3.18067e+05 2.23506e+06 18.18955 85.64764 1.00000 None parabolic box sum
449 686 0.73071 4.46964 6ValHgb* 13CysHa 5.42985e+05 3.79306e+06 17.68589 29.36428 1.00000 None parabolic box sum
450 236 6.94979 4.47904 11Trp(Hz3/Hd1) 13CysHa 5.91295e+05 3.47090e+06 10.96368 80.09102 1.00000 None parabolic box sum
451 797 9.82968 4.47819 11TrpHe1 13CysHa 1.53125e+05 8.95710e+05 10.53803 80.51647 1.00000 None parabolic box sum
452 609 2.85993 4.47825 13CysHbb 13CysHa 7.70780e+06 5.40909e+07 26.33393 32.12632 1.00000 None parabolic box sum
453 262 7.72865 4.47945 14TrpH 13CysHa 1.65244e+06 1.26836e+07 20.84970 80.78927 1.00000 None None box sum
454 532 3.14751 4.47724 14TrpHba 13CysHa 2.32583e+05 1.43844e+06 33.13422 32.25538 1.00000 None parabolic box sum
455 533 3.21772 4.47395 14TrpHbb 13CysHa 2.63160e+05 1.82290e+06 21.53158 36.64423 1.00000 None parabolic box sum
456 272 7.10948 4.47692 14TrpHd1 13CysHa 4.84572e+05 2.73940e+06 10.19865 40.14125 1.00000 None parabolic box sum
457 760 3.71961 2.85989 2SerHba 13CysHb* 1.72833e+05 1.31075e+06 39.84749 41.91547 1.00000 None parabolic box sum
458 519 3.73991 2.86189 2SerHbb 13CysHb* 2.47767e+05 1.60471e+06 31.36873 38.56271 1.00000 None parabolic box sum
459 376 1.91305 2.85397 4HcyHba 13CysHb* 1.21578e+06 9.73764e+06 63.31086 45.18900 1.00000 None parabolic box sum
460 375 1.95750 2.85408 4HcyHbb 13CysHb* 1.20231e+06 9.48909e+06 63.54630 44.50597 1.00000 None parabolic box sum
461 377 2.49034 2.85463 4HcyHga 13CysHb* 1.04798e+06 8.26104e+06 36.36897 48.07014 1.00000 None parabolic box sum
462 378 2.63109 2.85710 4HcyHgb 13CysHb* 1.18176e+06 9.29631e+06 39.60669 49.12932 1.00000 None parabolic box sum
463 763 7.78267 2.85745 5HisH 13CysHb* 2.28236e+05 1.31371e+06 10.20551 183.42993 1.00000 None parabolic box sum
464 435 3.90309 2.85698 6ValHa 13CysHb* 4.41234e+05 3.21724e+06 19.23859 46.77803 1.00000 None parabolic box sum
465 241 6.94969 2.85991 11Trp(Hz3/Hd1) 13CysHb* 4.96771e+05 3.05238e+06 13.36217 270.84602 1.00000 None parabolic box sum
466 521 4.25096 2.85872 12ProHa 13CysHb* 4.06216e+05 3.05791e+06 24.90938 31.89445 1.00000 None parabolic box sum
467 259 8.51763 2.85688 13CysH 13CysHb* 3.34148e+05 2.44807e+06 25.16329 41.06560 1.00000 None parabolic box sum
468 258 7.73226 2.85973 14TrpH 13CysHb* 6.34477e+05 4.92282e+06 21.61652 266.03748 1.00000 None parabolic box sum
469 274 7.10927 2.85686 14TrpHd1 13CysHb* 6.91430e+05 3.98126e+06 10.71870 40.97222 1.00000 None parabolic box sum
470 301 7.44089 2.85759 14TrpHe3 13CysHb* 2.85512e+05 1.99620e+06 19.91719 43.10160 1.00000 None parabolic box sum
471 538 0.69217 4.62523 6ValHga* 14TrpHa 4.78741e+05 2.70249e+06 15.76304 42.48204 1.00000 None parabolic box sum
472 535 2.86150 4.62912 13CysHb* 14TrpHa 2.36842e+05 1.68977e+06 30.21359 33.62460 1.00000 None parabolic box sum
473 260 7.72525 4.62994 14TrpH 14TrpHa 6.66826e+05 4.91480e+06 21.24757 37.06654 1.00000 None parabolic box sum
474 63 3.13569 4.62393 14TrpHba 14TrpHa 2.04608e+06 2.24940e+07 39.69371 32.80464 1.00000 None None box sum
475 615 3.14459 4.62734 14TrpHba 14TrpHa 4.98712e+06 3.42111e+07 16.51108 32.13262 1.00000 None None box sum
476 62 3.22704 4.62467 14TrpHbb 14TrpHa 2.34370e+06 2.19329e+07 33.58603 31.91281 1.00000 None None box sum
477 614 3.21698 4.62758 14TrpHbb 14TrpHa 5.12681e+06 3.41412e+07 15.82146 31.51936 1.00000 None None box sum
478 271 7.10901 4.62926 14TrpHd1 14TrpHa 2.20442e+06 1.14882e+07 9.78470 31.02308 1.00000 None parabolic box sum
479 305 7.43994 4.62996 14TrpHe3 14TrpHa 1.77017e+06 1.19076e+07 19.14412 32.04449 1.00000 None parabolic box sum
480 534 7.02144 4.62757 14TrpHz3 14TrpHa 1.94573e+05 1.31359e+06 18.53526 30.67631 1.00000 None parabolic box sum
481 99 7.63638 4.63003 15TyrH 14TrpHa 1.34508e+06 9.95006e+06 23.80013 31.44853 1.00000 None None box sum
482 762 2.54561 4.62572 15TyrHba 14TrpHa 1.27472e+05 9.07415e+05 31.02958 29.59248 1.00000 None parabolic box sum
483 536 2.65140 4.62575 15TyrHbb 14TrpHa 1.65458e+05 1.12969e+06 25.93696 33.52440 1.00000 None parabolic box sum
484 332 6.71383 4.62958 15TyrHd* 14TrpHa 3.21739e+05 2.25889e+06 18.22561 32.78366 1.00000 None parabolic box sum
485 286 7.08859 3.13326 None 14TrpHba 3.78271e+05 2.34455e+06 18.20326 47.54711 1.00000 None parabolic box sum
486 265 7.72953 3.13219 14TrpH 14TrpHba 8.80278e+05 6.74165e+06 20.89649 195.68734 1.00000 None parabolic box sum
487 4 7.11043 3.13951 14TrpHd1 14TrpHba 5.37288e+06 2.97063e+07 9.99421 37.83718 1.00000 None None box sum
488 724 10.11689 3.13307 14TrpHe1 14TrpHba 2.84459e+05 1.79804e+06 12.81194 46.14484 1.00000 None parabolic box sum
489 105 7.43999 3.13662 14TrpHe3 14TrpHba 3.09976e+06 2.15806e+07 19.24723 37.26221 1.00000 None parabolic box sum
490 295 7.63254 3.13654 15TyrH 14TrpHba 4.20593e+05 3.25832e+06 72.56567 44.94349 1.00000 None parabolic box sum
491 264 7.72831 3.22969 14TrpH 14TrpHbb 6.95395e+05 5.37085e+06 21.66122 84.38596 1.00000 None parabolic box sum
492 5 7.11043 3.22933 14TrpHd1 14TrpHbb 4.62467e+06 2.57199e+07 9.97245 38.04178 1.00000 None None box sum
493 723 10.11687 3.22566 14TrpHe1 14TrpHbb 2.06903e+05 1.29668e+06 12.27252 43.32141 1.00000 None parabolic box sum
494 104 7.44024 3.22671 14TrpHe3 14TrpHbb 2.80290e+06 1.96260e+07 19.40459 38.08794 1.00000 None parabolic box sum
495 90 7.63542 3.22494 15TyrH 14TrpHbb 3.56608e+05 2.67129e+06 32.66305 37.21815 1.00000 None None box sum
496 781 2.54280 3.22467 15TyrHba 14TrpHbb 1.21693e+05 8.82622e+05 21.84868 39.57730 1.00000 None parabolic box sum
497 542 2.64509 3.22580 15TyrHbb 14TrpHbb 1.41623e+05 1.07425e+06 23.86093 37.80990 1.00000 None parabolic box sum
498 269 7.72821 7.10988 14TrpH 14TrpHd1 4.30519e+05 3.00502e+06 18.59188 30.19289 1.00000 None None box sum
499 337 6.71260 7.09840 15TyrHd* 14TrpHd1 5.78288e+05 3.97489e+06 18.82464 50.42929 1.00000 None parabolic box sum
500 338 6.53935 7.09988 15TyrHe* 14TrpHd1 4.24064e+05 2.87411e+06 19.30237 41.61592 1.00000 None parabolic box sum
501 266 7.73311 7.44546 14TrpH 14TrpHe3 2.85901e+05 1.37527e+06 17.63195 20.55864 1.00000 None parabolic box sum
502 335 6.70789 7.44459 15TyrHd* 14TrpHe3 4.85350e+05 2.95381e+06 20.70665 29.01410 1.00000 None parabolic box sum
503 103 10.11570 7.35102 14TrpHe1 14TrpHz2 2.94176e+06 1.71608e+07 12.28951 30.38857 1.00000 None None box sum
504 334 6.71332 7.63439 15TyrHd* 15TyrH 6.59469e+05 5.07696e+06 19.92553 38.71563 1.00000 None parabolic box sum
505 273 7.10941 4.35242 14TrpHd1 15TyrHa 4.68496e+05 2.64168e+06 10.12743 43.63407 1.00000 None parabolic box sum
506 304 7.43964 4.35175 14TrpHe3 15TyrHa 1.35365e+06 9.30479e+06 19.24723 32.97199 1.00000 None parabolic box sum
507 294 7.62739 4.35190 15TyrH 15TyrHa 7.54027e+05 5.11977e+06 18.17465 34.41938 1.00000 None parabolic box sum
508 330 6.71304 4.35198 15TyrHd* 15TyrHa 3.88455e+06 2.87788e+07 19.60039 33.96874 1.00000 None parabolic box sum
509 331 6.54020 4.35348 15TyrHe* 15TyrHa 5.25519e+05 3.02535e+06 11.36839 35.84368 1.00000 None parabolic box sum
510 75 7.95525 4.35150 16ArgH 15TyrHa 1.19019e+06 8.87378e+06 21.82424 33.82762 1.00000 None parabolic box sum
511 231 7.34378 2.52900 11TrpHe3 15TyrHba 4.59827e+05 3.35389e+06 21.32356 72.66313 1.00000 None parabolic box sum
512 277 7.10799 2.53088 14TrpHd1 15TyrHba 3.72608e+05 2.11991e+06 11.55972 57.97469 1.00000 None parabolic box sum
513 299 7.43905 2.53221 14TrpHe3 15TyrHba 3.72603e+05 2.62142e+06 19.45287 41.34155 1.00000 None parabolic box sum
514 290 7.02631 2.53162 14TrpHz3 15TyrHba 2.62735e+05 1.95163e+06 23.79596 39.58464 1.00000 None parabolic box sum
515 297 7.63439 2.53423 15TyrH 15TyrHba 1.31727e+06 9.75203e+06 21.88563 36.83728 1.00000 None parabolic box sum
516 116 6.71445 2.53701 15TyrHd* 15TyrHba 6.04985e+06 4.51619e+07 19.58430 36.62901 1.00000 None None box sum
517 321 6.53973 2.53157 15TyrHe* 15TyrHba 9.21544e+05 5.17550e+06 10.87636 38.60993 1.00000 None parabolic box sum
518 483 3.00229 2.65457 None 15TyrHbb 1.01447e+06 7.98626e+06 40.86137 42.25174 1.00000 None parabolic box sum
519 499 3.09906 2.65647 11TrpHbb 15TyrHbb 8.56833e+05 5.80386e+06 15.70761 40.68474 1.00000 None parabolic box sum
520 229 7.34335 2.65162 11TrpHe3 15TyrHbb 7.29695e+05 5.33750e+06 24.22988 39.90518 1.00000 None parabolic box sum
521 462 3.21648 2.65696 14TrpHbb 15TyrHbb 2.95636e+05 2.33019e+06 39.70087 40.49273 1.00000 None parabolic box sum
522 276 7.10931 2.65283 14TrpHd1 15TyrHbb 4.82630e+05 2.93603e+06 11.50995 40.58349 1.00000 None parabolic box sum
523 300 7.43845 2.65187 14TrpHe3 15TyrHbb 3.21360e+05 2.36029e+06 20.08587 38.77885 1.00000 None parabolic box sum
524 254 7.08929 2.65007 14TrpHh2 15TyrHbb 4.22192e+05 2.87832e+06 33.81580 36.13169 1.00000 None parabolic box sum
525 291 7.02894 2.65510 14TrpHz3 15TyrHbb 1.97366e+05 1.53736e+06 26.11160 37.66196 1.00000 None parabolic box sum
526 296 7.63417 2.65527 15TyrH 15TyrHbb 1.24183e+06 9.18187e+06 23.30095 36.43071 1.00000 None parabolic box sum
527 113 6.71236 2.65807 15TyrHd* 15TyrHbb 6.54250e+06 4.98320e+07 19.68414 38.31929 1.00000 None None box sum
528 320 6.53982 2.65406 15TyrHe* 15TyrHbb 1.14562e+06 6.60489e+06 11.39730 37.09119 1.00000 None parabolic box sum
529 216 7.34268 6.71267 None 15TyrHd* 5.29230e+05 3.76498e+06 21.13253 27.54547 1.00000 None parabolic box sum
530 617 2.54393 6.71449 None 15TyrHd* 3.25172e+06 2.33357e+07 21.04282 30.56693 1.00000 None parabolic box sum
531 697 9.82869 6.71553 11TrpHe1 15TyrHd* 2.21904e+05 1.24987e+06 10.66178 33.08871 1.00000 None parabolic box sum
532 695 10.11822 6.71365 14TrpHe1 15TyrHd* 1.98284e+05 1.21402e+06 12.69631 29.78448 1.00000 None parabolic box sum
533 306 7.43900 6.71452 14TrpHe3 15TyrHd* 2.65858e+05 1.80851e+06 19.03445 27.62573 1.00000 None parabolic box sum
534 218 7.08450 6.71311 14TrpHh2 15TyrHd* 3.94483e+05 2.68409e+06 16.05779 31.11961 1.00000 None parabolic box sum
535 217 7.02791 6.71314 14TrpHz3 15TyrHd* 5.28929e+05 3.58508e+06 20.62052 34.78555 1.00000 None parabolic box sum
536 215 7.63374 6.71435 15TyrH 15TyrHd* 4.80102e+05 3.37986e+06 23.12928 30.43998 1.00000 None parabolic box sum
537 616 2.64258 6.71425 15TyrHbb 15TyrHd* 3.48386e+06 2.37741e+07 23.81206 30.56693 1.00000 None parabolic box sum
538 669 7.95538 6.71684 16ArgH 15TyrHd* 1.86993e+05 1.34384e+06 19.02416 35.67449 1.00000 None parabolic box sum
539 698 9.83064 6.53606 11TrpHe1 15TyrHe* 1.82133e+05 1.11418e+06 11.66545 33.44125 1.00000 None parabolic box sum
540 696 10.11726 6.53460 14TrpHe1 15TyrHe* 1.93821e+05 1.18847e+06 12.61331 35.07015 1.00000 None parabolic box sum
541 329 6.71983 4.04792 15TyrHd* 16ArgHa 1.20373e+06 8.54609e+06 17.30323 31.66152 1.00000 None parabolic box sum
542 339 7.96230 4.04742 16ArgH 16ArgHa 7.86380e+05 4.98662e+06 14.08622 32.61893 1.00000 None parabolic box sum
543 619 1.45577 4.04568 16ArgHba 16ArgHa 1.08861e+06 7.54427e+06 28.73778 32.59060 1.00000 None parabolic box sum
544 51 1.66231 4.04543 16ArgHbb 16ArgHa 1.45133e+06 1.14124e+07 38.64527 33.53279 1.00000 None None box sum
545 10 2.98669 4.04814 16ArgHda 16ArgHa 8.46184e+05 6.50401e+06 31.53563 34.09045 1.00000 None None box sum
546 52 1.37935 4.04590 16ArgHga 16ArgHa 1.07073e+06 8.74996e+06 51.93532 32.55807 1.00000 None None box sum
547 618 1.39518 4.04799 16ArgHgb 16ArgHa 1.10123e+06 8.50333e+06 51.30410 33.13462 1.00000 None None box sum
548 341 7.95568 1.46512 16ArgH 16ArgHba 4.45149e+05 3.50396e+06 23.07311 41.13538 1.00000 None parabolic box sum
549 316 6.72154 1.65437 15TyrHd* 16ArgHbb 4.24054e+05 2.81201e+06 18.53764 46.35048 1.00000 None parabolic box sum
550 340 7.95687 1.65888 16ArgH 16ArgHbb 2.76102e+05 2.10568e+06 21.54008 40.09299 1.00000 None parabolic box sum
551 735 2.98723 1.65730 16ArgHda 16ArgHbb 1.44476e+06 1.14504e+07 60.02307 40.70940 1.00000 None parabolic box sum
552 623 1.36120 1.65452 16ArgHga 16ArgHbb 5.74361e+06 4.35043e+07 50.57573 38.64717 1.00000 None parabolic box sum
553 622 1.39181 1.65798 16ArgHgb 16ArgHbb 8.75824e+06 6.76923e+07 43.91730 40.64644 1.00000 None parabolic box sum
554 16 1.46864 2.98778 16ArgHba 16ArgHda 1.09295e+06 9.16069e+06 161.95178 58.75373 1.00000 None None box sum
555 15 1.65986 2.98778 16ArgHbb 16ArgHda 8.65980e+05 7.01563e+06 39.96074 54.41157 1.00000 None None box sum
556 53 1.37904 2.98646 16ArgHga 16ArgHda 1.62179e+06 1.24063e+07 28.86355 39.80970 1.00000 None None box sum
557 771 7.78103 1.37337 None 16ArgHga 1.34108e+05 7.51778e+05 10.41323 111.70795 1.00000 None parabolic box sum
558 313 6.71580 1.36844 15TyrHd* 16ArgHga 3.14473e+05 2.40264e+06 20.94865 149.53306 1.00000 None parabolic box sum
559 314 6.53837 1.37737 15TyrHe* 16ArgHga 1.85607e+05 1.41721e+06 20.49208 72.03150 1.00000 None parabolic box sum
560 342 7.95277 1.38855 16ArgH 16ArgHgb 2.20788e+05 1.73814e+06 24.18041 121.07950 1.00000 None parabolic box sum
561 365 7.34703 6.86045 None (5His/7His)Hd2 4.21914e+05 2.91485e+06 30.43681 258.83098 1.00000 None parabolic box sum
562 401 2.96175 0.70115 None (6Val/3Ile)(Hga*/Hg2*) 6.49766e+05 4.87930e+06 32.92263 53.27685 1.00000 None parabolic box sum
563 481 3.00350 2.48702 11TrpHba (8Arg/4Hcy)(Hda/Hga) 2.22926e+05 8.81225e+05 16.97898 26.31422 1.00000 None parabolic box sum
564 480 3.09911 2.48790 11TrpHbb (8Arg/4Hcy)(Hda/Hga) 3.27889e+05 1.56504e+06 16.08789 29.61556 1.00000 None parabolic box sum
565 358 6.85544 2.64576 None (8Arg/4Hcy)(Hdb/Hgb) 9.12817e+05 5.71409e+06 12.21925 36.25602 1.00000 None parabolic box sum
566 433 3.90243 4.53607 6ValHa (8Arg/5His)Ha 5.64634e+05 4.16264e+06 18.39995 44.61823 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 . . 8801.422 Hz . . . 4.704 . . 34380 1
2 . . H 1 H . . 10000 Hz . . . 4.704 . . 34380 1
3 . . None 1 None . . 1 Hz . . . 1 . . 34380 1
stop_
save_