============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 2 1.000 -4.401 98.696 39.597 -99.200 -91.000 PHE 6 1.000 11.441 97.552 48.092 -99.200 -91.000 HIS 8 0.900 12.967 95.304 54.437 -99.200 -91.000 TYR 32 0.840 19.894 92.352 44.883 -99.200 -91.000 PHE 41 1.000 10.370 76.237 38.605 -99.200 -91.000 HIS 48 0.900 20.848 87.191 38.212 -99.200 -91.000 TYR 74 0.840 12.986 82.142 42.158 -99.200 -91.000 PHE 77 1.000 3.308 87.169 42.653 -99.200 -91.000 TYR 79 0.840 -0.946 90.550 32.298 -99.200 -91.000 TYR 83 0.840 3.301 80.033 22.081 -99.200 -91.000 TRP 86 1.040 -3.140 77.552 33.241 -99.200 -91.000 TRP6 86 1.020 -5.154 76.639 34.058 -99.200 -91.000 TYR 93 0.840 -9.511 93.802 35.351 -99.200 -91.000 PHE 106 1.000 18.771 80.611 53.886 -99.200 -91.000 HIS 125 0.900 -7.746 97.065 42.275 -99.200 -91.000 TYR 126 0.840 -3.361 92.491 38.561 -99.200 -91.000 TYR 133 0.840 2.208 71.716 35.955 -99.200 -91.000 TYR 134 0.840 5.783 63.951 38.818 -99.200 -91.000 TRP 135 1.040 6.521 68.316 35.506 -99.200 -91.000 TRP6 135 1.020 4.433 67.325 34.980 -99.200 -91.000 HIS 136 0.900 8.243 71.943 36.702 -99.200 -91.000 TRP 137 1.040 6.339 70.124 43.448 -99.200 -91.000 TRP6 137 1.020 4.449 68.822 44.031 -99.200 -91.000 TRP 147 1.040 1.066 60.810 47.648 -99.200 -91.000 TRP6 147 1.020 -0.313 61.391 45.806 -99.200 -91.000 TYR 149 0.840 7.207 69.833 47.464 -99.200 -91.000 HIS 156 0.900 0.260 79.899 56.286 -99.200 -91.000 PHE 161 1.000 -7.564 71.219 44.213 -99.200 -91.000 PHE 162 1.000 -10.525 78.222 42.934 -99.200 -91.000 HIS 172 0.900 1.117 62.265 40.498 -99.200 -91.000 HIS 183 0.900 -10.539 96.454 45.904 -99.200 -91.000 HIS 191 0.900 -11.336 84.329 30.437 -99.200 -91.000 PHE 192 1.000 -9.407 80.173 38.192 -99.200 -91.000 PHE 201 1.000 -15.660 71.460 23.665 -99.200 -91.000 TYR 202 0.840 -19.281 67.084 29.866 -99.200 -91.000