============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 13 0.840 -2.076 -81.544 28.273 -99.200 -91.000 TYR 23 0.840 4.297 -77.800 38.858 -99.200 -91.000 HIS 25 0.900 5.401 -76.453 32.650 -99.200 -91.000 TRP 41 1.040 0.870 -69.291 33.834 -99.200 -91.000 TRP6 41 1.020 0.432 -70.039 31.622 -99.200 -91.000 HIS 52 0.900 6.507 -56.367 31.421 -99.200 -91.000 TYR 55 0.840 21.486 -62.433 28.195 -99.200 -91.000 TYR 68 0.840 -2.842 -64.115 34.137 -99.200 -91.000 TYR 78 0.840 19.701 -71.902 32.800 -99.200 -91.000 TRP 89 1.040 24.249 -60.461 11.936 -99.200 -91.000 TRP6 89 1.020 22.974 -58.476 11.720 -99.200 -91.000 TYR 101 0.840 -7.333 -82.534 26.491 -99.200 -91.000 TRP 110 1.040 6.575 -59.381 20.383 -99.200 -91.000 TRP6 110 1.020 7.096 -60.193 18.221 -99.200 -91.000 PHE 112 1.000 14.039 -57.953 20.584 -99.200 -91.000 HIS 128 0.900 10.959 -49.973 20.932 -99.200 -91.000 PHE 129 1.000 9.895 -56.090 17.202 -99.200 -91.000 PHE 131 1.000 4.821 -55.163 15.396 -99.200 -91.000 HIS 132 0.900 1.248 -50.918 22.668 -99.200 -91.000 PHE 134 1.000 0.258 -57.812 16.737 -99.200 -91.000 PHE 148 1.000 -6.702 -65.747 12.088 -99.200 -91.000 PHE 176 1.000 10.782 -56.092 13.274 -99.200 -91.000 TYR 177 0.840 10.750 -58.998 5.758 -99.200 -91.000 HIS 181 0.900 25.678 -57.456 14.742 -99.200 -91.000 TRP 183 1.040 29.238 -61.221 21.545 -99.200 -91.000 TRP6 183 1.020 29.339 -59.864 23.492 -99.200 -91.000 PHE 192 1.000 16.766 -60.901 25.001 -99.200 -91.000 PHE 196 1.000 4.124 -62.974 25.189 -99.200 -91.000 PHE 198 1.000 -0.701 -64.355 28.495 -99.200 -91.000 PHE 213 1.000 11.068 -63.018 22.785 -99.200 -91.000 PHE 214 1.000 10.452 -68.502 17.797 -99.200 -91.000 PHE 234 1.000 13.125 -76.628 21.226 -99.200 -91.000