============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TYR 35 0.840 29.445 46.402 20.266 -99.200 -91.000 PHE 41 1.000 28.621 51.880 12.957 -99.200 -91.000 HIS 74 0.900 33.817 86.531 -2.172 -99.200 -91.000 TYR 80 0.840 34.188 74.471 10.667 -99.200 -91.000 HIS 87 0.900 44.672 81.071 2.550 -99.200 -91.000 TYR 104 0.840 43.074 74.583 11.818 -99.200 -91.000 PHE 126 1.000 44.232 56.168 -2.123 -99.200 -91.000 PHE 135 1.000 36.093 56.018 1.334 -99.200 -91.000 HIS 172 0.900 55.723 49.537 4.144 -99.200 -91.000 TRP 185 1.040 49.279 67.311 6.359 -99.200 -91.000 TRP6 185 1.020 49.023 66.406 4.188 -99.200 -91.000 TRP 204 1.040 49.833 55.368 25.662 -99.200 -91.000 TRP6 204 1.020 48.159 53.739 25.275 -99.200 -91.000 TYR 215 0.840 19.021 60.836 11.272 -99.200 -91.000 TRP 225 1.040 53.300 55.734 16.478 -99.200 -91.000 TRP6 225 1.020 51.900 57.244 15.328 -99.200 -91.000 TYR 237 0.840 33.400 55.130 11.468 -99.200 -91.000 PHE 238 1.000 26.762 56.951 19.930 -99.200 -91.000