============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TRP 14 1.040 18.644 1.892 7.624 -99.200 -91.000 TRP6 14 1.020 17.043 2.423 5.957 -99.200 -91.000 PHE 19 1.000 22.764 1.777 27.669 -99.200 -91.000 TRP 37 1.040 17.943 -13.193 12.670 -99.200 -91.000 TRP6 37 1.020 19.836 -14.281 13.556 -99.200 -91.000 HIS 43 0.900 34.972 -3.124 15.786 -99.200 -91.000 TYR 47 0.840 33.814 -7.804 27.413 -99.200 -91.000 TRP 49 1.040 43.965 -7.389 28.897 -99.200 -91.000 TRP6 49 1.020 45.007 -6.973 26.828 -99.200 -91.000 PHE 53 1.000 36.875 -15.749 25.883 -99.200 -91.000 HIS 65 0.900 17.019 12.772 15.482 -99.200 -91.000 TYR 70 0.840 12.330 5.805 27.205 -99.200 -91.000 TYR 84 0.840 23.794 -16.835 16.322 -99.200 -91.000 HIS 86 0.900 33.108 -15.145 9.374 -99.200 -91.000 TYR 89 0.840 37.105 -9.299 14.331 -99.200 -91.000 TRP 91 1.040 40.583 -10.601 18.088 -99.200 -91.000 TRP6 91 1.020 42.236 -11.092 19.705 -99.200 -91.000 PHE 110 1.000 9.831 -4.400 10.927 -99.200 -91.000 TYR 113 0.840 8.983 7.893 14.811 -99.200 -91.000 HIS 115 0.900 10.251 -0.467 6.969 -99.200 -91.000 TYR 132 0.840 28.361 4.836 -9.204 -99.200 -91.000 TRP 139 1.040 22.963 8.399 18.191 -99.200 -91.000 TRP6 139 1.020 21.939 6.383 17.501 -99.200 -91.000 TRP 146 1.040 43.969 9.002 20.974 -99.200 -91.000 TRP6 146 1.020 44.209 11.124 19.957 -99.200 -91.000 PHE 183 1.000 32.319 -0.785 1.340 -99.200 -91.000 TYR 187 0.840 33.584 13.782 0.191 -99.200 -91.000 PHE 206 1.000 29.221 3.282 2.529 -99.200 -91.000 PHE 212 1.000 19.604 1.248 -11.927 -99.200 -91.000 TRP 216 1.040 17.210 4.525 1.453 -99.200 -91.000 TRP6 216 1.020 19.037 6.026 1.332 -99.200 -91.000 TYR 217 0.840 18.994 -2.955 -2.353 -99.200 -91.000 TRP 224 1.040 39.758 -1.502 9.387 -99.200 -91.000 TRP6 224 1.020 41.710 -0.580 8.392 -99.200 -91.000 TYR 234 0.840 41.094 7.824 1.283 -99.200 -91.000 PHE 236 1.000 40.566 0.916 4.693 -99.200 -91.000 TYR 237 0.840 32.811 2.686 5.659 -99.200 -91.000 HIS 239 0.900 32.003 -6.126 -0.713 -99.200 -91.000 PHE 241 1.000 27.391 -9.717 -3.592 -99.200 -91.000 TRP 246 1.040 28.957 -16.335 8.903 -99.200 -91.000 TRP6 246 1.020 28.308 -14.514 10.283 -99.200 -91.000