============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 12 1.040 3.679 39.715 31.555 -99.200 -91.000 TRP6 12 1.020 4.590 39.837 29.394 -99.200 -91.000 TYR 20 0.840 -1.286 21.245 45.691 -99.200 -91.000 TRP 26 1.040 -8.758 26.236 46.746 -99.200 -91.000 TRP6 26 1.020 -9.106 24.545 45.150 -99.200 -91.000 HIS 28 0.900 1.474 29.057 41.452 -99.200 -91.000 TRP 39 1.040 -10.898 24.156 25.751 -99.200 -91.000 TRP6 39 1.020 -10.319 21.935 26.226 -99.200 -91.000 HIS 45 0.900 6.411 19.704 34.796 -99.200 -91.000 PHE 53 1.000 -4.180 19.489 39.413 -99.200 -91.000 HIS 60 0.900 0.439 41.597 40.273 -99.200 -91.000 TYR 71 0.840 -10.362 33.055 43.363 -99.200 -91.000 HIS 80 0.900 1.318 14.858 22.740 -99.200 -91.000 TYR 82 0.840 2.349 10.474 20.546 -99.200 -91.000 TRP 83 1.040 3.702 13.672 30.772 -99.200 -91.000 TRP6 83 1.020 5.753 14.807 30.882 -99.200 -91.000 TYR 91 0.840 6.168 13.695 22.340 -99.200 -91.000 TYR 107 0.840 -7.169 44.023 35.864 -99.200 -91.000 TYR 127 0.840 10.258 40.873 29.469 -99.200 -91.000 TRP 131 1.040 1.994 34.523 41.045 -99.200 -91.000 TRP6 131 1.020 0.557 34.115 39.231 -99.200 -91.000 TYR 148 0.840 15.278 40.481 27.372 -99.200 -91.000 TYR 154 0.840 18.394 20.897 18.260 -99.200 -91.000 TYR 161 0.840 24.761 27.001 26.029 -99.200 -91.000 TRP 162 1.040 19.433 22.643 29.085 -99.200 -91.000 TRP6 162 1.020 18.809 21.432 30.995 -99.200 -91.000 HIS 191 0.900 3.880 35.943 28.421 -99.200 -91.000 TYR 198 0.840 6.064 40.935 24.529 -99.200 -91.000 HIS 201 0.900 6.845 32.544 19.780 -99.200 -91.000 PHE 206 1.000 13.990 20.079 30.384 -99.200 -91.000 PHE 221 1.000 10.687 28.612 28.775 -99.200 -91.000 TYR 227 0.840 3.869 19.760 21.379 -99.200 -91.000 TRP 230 1.040 -2.187 17.129 21.409 -99.200 -91.000 TRP6 230 1.020 -2.244 18.391 23.395 -99.200 -91.000