============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TRP 20 1.040 16.402 14.614 30.535 -99.200 -91.000 TRP6 20 1.020 15.110 13.186 29.169 -99.200 -91.000 HIS 22 0.900 22.173 20.646 24.362 -99.200 -91.000 TRP 48 1.040 26.727 22.547 15.715 -99.200 -91.000 TRP6 48 1.020 29.081 22.525 15.465 -99.200 -91.000 PHE 64 1.000 12.547 18.070 30.141 -99.200 -91.000 HIS 75 0.900 34.449 26.129 23.261 -99.200 -91.000 HIS 77 0.900 36.307 27.479 19.150 -99.200 -91.000 HIS 95 0.900 24.262 32.505 34.319 -99.200 -91.000 TYR 109 0.840 29.705 33.521 17.472 -99.200 -91.000 PHE 124 1.000 21.109 27.608 37.637 -99.200 -91.000 PHE 132 1.000 38.859 24.316 38.070 -99.200 -91.000 TYR 133 0.840 40.391 29.681 32.614 -99.200 -91.000 HIS 138 0.900 38.434 23.304 21.660 -99.200 -91.000 TRP 146 1.040 31.731 18.565 40.557 -99.200 -91.000 TRP6 146 1.020 32.372 16.373 39.935 -99.200 -91.000 TYR 150 0.840 22.307 14.531 39.439 -99.200 -91.000 TYR 173 0.840 46.409 29.714 24.218 -99.200 -91.000 TRP 177 1.040 43.643 20.154 25.949 -99.200 -91.000 TRP6 177 1.020 42.932 20.329 23.702 -99.200 -91.000 TYR 188 0.840 35.746 19.237 39.620 -99.200 -91.000 HIS 198 0.900 32.208 18.319 19.002 -99.200 -91.000 HIS 209 0.900 41.499 8.841 23.811 -99.200 -91.000