============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TRP 20 1.040 16.734 -1.289 4.948 -99.200 -91.000 TRP6 20 1.020 18.209 0.238 3.907 -99.200 -91.000 HIS 22 0.900 11.012 3.994 11.746 -99.200 -91.000 PHE 28 1.000 8.495 13.772 26.254 -99.200 -91.000 TRP 53 1.040 9.424 11.699 17.346 -99.200 -91.000 TRP6 53 1.020 9.717 11.811 19.696 -99.200 -91.000 PHE 69 1.000 13.347 -0.223 1.616 -99.200 -91.000 HIS 80 0.900 5.315 3.966 24.602 -99.200 -91.000 HIS 82 0.900 3.885 7.687 27.174 -99.200 -91.000 HIS 100 0.900 -1.258 -5.664 12.754 -99.200 -91.000 TYR 114 0.840 -2.982 10.580 20.585 -99.200 -91.000 PHE 129 1.000 3.284 -8.515 9.363 -99.200 -91.000 PHE 137 1.000 7.424 -11.564 26.445 -99.200 -91.000 TYR 138 0.840 2.230 -6.310 29.055 -99.200 -91.000 HIS 143 0.900 8.329 4.933 28.091 -99.200 -91.000 TRP 151 1.040 12.640 -13.203 18.776 -99.200 -91.000 TRP6 151 1.020 14.866 -12.654 19.369 -99.200 -91.000 TYR 155 0.840 16.146 -11.365 9.268 -99.200 -91.000 TYR 179 0.840 2.777 1.215 36.064 -99.200 -91.000 TRP 183 1.040 11.790 -0.237 32.557 -99.200 -91.000 TRP6 183 1.020 11.675 2.111 32.357 -99.200 -91.000 TYR 194 0.840 12.261 -12.674 22.766 -99.200 -91.000 HIS 204 0.900 13.685 7.823 22.301 -99.200 -91.000 HIS 215 0.900 22.935 2.015 30.205 -99.200 -91.000