============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. HIS 16 0.900 103.849 51.972 57.096 -99.200 -91.000 TYR 30 0.840 87.134 34.374 61.945 -99.200 -91.000 TYR 36 0.840 96.563 30.610 53.558 -99.200 -91.000 TYR 37 0.840 90.325 35.213 52.809 -99.200 -91.000 PHE 62 1.000 103.086 38.025 50.229 -99.200 -91.000 TRP 72 1.040 98.827 24.050 50.530 -99.200 -91.000 TRP6 72 1.020 98.681 26.370 50.763 -99.200 -91.000 TYR 78 0.840 107.241 32.842 46.265 -99.200 -91.000 PHE 91 1.000 99.985 41.829 32.772 -99.200 -91.000 PHE 97 1.000 104.382 32.302 36.107 -99.200 -91.000 TYR 112 0.840 87.245 38.951 43.487 -99.200 -91.000 TYR 113 0.840 80.154 34.012 50.344 -99.200 -91.000 HIS 115 0.900 75.408 28.836 43.641 -99.200 -91.000 PHE 117 1.000 85.199 33.942 42.564 -99.200 -91.000 HIS 118 0.900 82.082 26.111 41.170 -99.200 -91.000 PHE 134 1.000 85.233 38.271 35.819 -99.200 -91.000 TYR 136 0.840 80.437 43.787 43.665 -99.200 -91.000 HIS 137 0.900 75.645 49.972 41.754 -99.200 -91.000 TYR 144 0.840 87.338 50.396 43.779 -99.200 -91.000 PHE 149 1.000 78.694 47.998 31.709 -99.200 -91.000 TYR 169 0.840 77.351 48.265 37.178 -99.200 -91.000 TYR 175 0.840 92.624 43.525 36.544 -99.200 -91.000 PHE 176 1.000 90.257 34.875 34.394 -99.200 -91.000 TYR 177 0.840 95.020 41.169 31.139 -99.200 -91.000 TYR 205 0.840 93.922 42.688 25.764 -99.200 -91.000 TYR 220 0.840 79.178 35.832 42.045 -99.200 -91.000 TRP 222 1.040 86.102 43.336 44.658 -99.200 -91.000 TRP6 222 1.020 85.971 45.373 43.593 -99.200 -91.000 HIS 228 0.900 94.135 51.581 59.753 -99.200 -91.000 PHE 237 1.000 80.425 39.070 53.583 -99.200 -91.000 TYR 257 0.840 90.600 15.540 49.830 -99.200 -91.000 TRP 261 1.040 94.662 20.733 41.082 -99.200 -91.000 TRP6 261 1.020 94.403 23.063 41.288 -99.200 -91.000 TYR 279 0.840 93.426 26.482 57.934 -99.200 -91.000 TYR 282 0.840 87.273 23.377 57.072 -99.200 -91.000 TYR 292 0.840 76.040 16.507 49.400 -99.200 -91.000