============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TRP 2 1.040 11.063 14.354 17.132 -99.200 -91.000 TRP6 2 1.020 10.624 13.978 19.418 -99.200 -91.000 TYR 23 0.840 21.205 -8.144 36.135 -99.200 -91.000 TRP 32 1.040 19.263 -21.454 44.801 -99.200 -91.000 TRP6 32 1.020 21.578 -21.265 45.219 -99.200 -91.000 TYR 40 0.840 26.057 -15.409 39.756 -99.200 -91.000 PHE 43 1.000 21.505 -13.086 49.452 -99.200 -91.000 TYR 48 0.840 9.522 -8.055 48.689 -99.200 -91.000 HIS 53 0.900 10.645 -20.390 40.679 -99.200 -91.000 HIS 54 0.900 2.558 -22.842 46.922 -99.200 -91.000 TRP 61 1.040 0.777 -19.539 34.165 -99.200 -91.000 TRP6 61 1.020 0.895 -17.187 34.176 -99.200 -91.000 PHE 68 1.000 -11.859 -19.791 33.170 -99.200 -91.000 HIS 77 0.900 -16.350 -0.754 31.952 -99.200 -91.000 TYR 81 0.840 -16.323 -8.282 35.888 -99.200 -91.000 HIS 85 0.900 -10.819 -10.963 34.465 -99.200 -91.000 TRP 95 1.040 -6.203 -10.754 52.444 -99.200 -91.000 TRP6 95 1.020 -4.660 -9.701 51.003 -99.200 -91.000 TYR 98 0.840 -10.100 -0.450 51.568 -99.200 -91.000 PHE 104 1.000 -7.129 -0.346 37.668 -99.200 -91.000 PHE 108 1.000 5.417 2.581 36.624 -99.200 -91.000 HIS 132 0.900 6.308 2.370 44.122 -99.200 -91.000 PHE 149 1.000 4.115 13.936 52.419 -99.200 -91.000 HIS 151 0.900 10.659 8.755 53.521 -99.200 -91.000 HIS 156 0.900 8.977 19.612 55.785 -99.200 -91.000 PHE 177 1.000 7.853 5.780 51.705 -99.200 -91.000 HIS 196 0.900 -4.894 20.496 57.251 -99.200 -91.000 TRP 199 1.040 -11.773 11.267 50.431 -99.200 -91.000 TRP6 199 1.020 -13.127 10.359 48.707 -99.200 -91.000 HIS 206 0.900 8.465 -2.489 47.226 -99.200 -91.000 TRP 220 1.040 -5.471 -6.295 59.368 -99.200 -91.000 TRP6 220 1.020 -7.766 -6.208 58.756 -99.200 -91.000 PHE 233 1.000 -2.788 -8.396 43.024 -99.200 -91.000 PHE 237 1.000 -1.098 -10.982 46.578 -99.200 -91.000 TYR 253 0.840 -15.208 9.954 39.834 -99.200 -91.000 PHE 257 1.000 -17.724 10.104 35.620 -99.200 -91.000 HIS 260 0.900 -5.756 5.893 32.164 -99.200 -91.000 TYR 263 0.840 -13.248 3.225 26.554 -99.200 -91.000 PHE 301 1.000 21.731 -8.435 55.934 -99.200 -91.000 PHE 310 1.000 29.905 -3.593 55.066 -99.200 -91.000 TRP 343 1.040 22.743 -10.535 40.543 -99.200 -91.000 TRP6 343 1.020 24.284 -10.991 38.832 -99.200 -91.000 HIS 367 0.900 17.109 -15.568 49.640 -99.200 -91.000 HIS 380 0.900 34.242 -10.735 59.579 -99.200 -91.000