============================================================================= 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. HIS 16 0.900 36.955 45.833 9.365 -99.200 -91.000 TRP 23 1.040 37.452 41.555 8.635 -99.200 -91.000 TRP6 23 1.020 35.555 41.127 7.322 -99.200 -91.000 PHE 33 1.000 30.176 36.981 3.875 -99.200 -91.000 TYR 37 0.840 31.962 43.445 7.064 -99.200 -91.000 PHE 40 1.000 24.372 43.688 7.544 -99.200 -91.000 HIS 49 0.900 19.966 60.208 9.907 -99.200 -91.000 PHE 57 1.000 32.418 56.777 22.571 -99.200 -91.000 TYR 70 0.840 35.110 38.995 17.437 -99.200 -91.000 HIS 77 0.900 34.205 48.352 16.454 -99.200 -91.000 PHE 84 1.000 36.297 57.248 13.991 -99.200 -91.000 HIS 104 0.900 19.142 43.064 31.274 -99.200 -91.000 PHE 140 1.000 16.859 52.007 38.893 -99.200 -91.000 TYR 146 0.840 15.130 52.827 34.112 -99.200 -91.000 TRP 147 1.040 9.786 51.960 39.741 -99.200 -91.000 TRP6 147 1.020 11.700 51.231 40.939 -99.200 -91.000 HIS 148 0.900 10.268 48.101 32.984 -99.200 -91.000 TRP 151 1.040 14.697 48.462 37.550 -99.200 -91.000 TRP6 151 1.020 16.732 47.307 37.836 -99.200 -91.000 PHE 162 1.000 16.462 48.852 43.805 -99.200 -91.000 TYR 165 0.840 22.015 47.498 38.716 -99.200 -91.000 PHE 168 1.000 28.433 47.267 38.489 -99.200 -91.000 TRP 173 1.040 23.251 56.930 34.481 -99.200 -91.000 TRP6 173 1.020 22.100 58.230 32.903 -99.200 -91.000 PHE 185 1.000 21.991 57.050 20.968 -99.200 -91.000 TYR 186 0.840 22.356 51.813 30.576 -99.200 -91.000 PHE 189 1.000 23.533 46.198 28.197 -99.200 -91.000 HIS 195 0.900 20.700 40.059 27.358 -99.200 -91.000 TYR 197 0.840 15.759 42.161 29.569 -99.200 -91.000 HIS 204 0.900 18.097 51.147 29.503 -99.200 -91.000 TYR 211 0.840 18.089 61.137 29.255 -99.200 -91.000 HIS 230 0.900 31.903 40.120 16.007 -99.200 -91.000