============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 30 1.000 42.177 49.523 54.507 -99.200 -91.000 HIS 38 0.900 37.412 57.243 53.265 -99.200 -91.000 TYR 44 0.840 39.771 48.553 46.584 -99.200 -91.000 TRP 86 1.040 28.597 33.294 54.923 -99.200 -91.000 TRP6 86 1.020 28.019 35.538 55.445 -99.200 -91.000 TYR 94 0.840 33.905 27.465 50.368 -99.200 -91.000 HIS 100 0.900 47.720 22.906 52.435 -99.200 -91.000 TYR 104 0.840 40.257 27.795 45.163 -99.200 -91.000 HIS 110 0.900 47.370 36.509 37.749 -99.200 -91.000 TYR 113 0.840 44.123 42.546 36.536 -99.200 -91.000 HIS 131 0.900 18.349 32.199 31.686 -99.200 -91.000 HIS 144 0.900 29.009 38.131 24.169 -99.200 -91.000 HIS 148 0.900 19.250 26.646 16.666 -99.200 -91.000 HIS 159 0.900 29.053 40.792 20.615 -99.200 -91.000 TYR 169 0.840 24.181 16.189 26.418 -99.200 -91.000 TYR 170 0.840 18.662 16.452 21.588 -99.200 -91.000 TYR 185 0.840 36.776 31.151 13.863 -99.200 -91.000 TYR 207 0.840 31.234 17.834 23.285 -99.200 -91.000 PHE 215 1.000 36.396 15.461 30.419 -99.200 -91.000 PHE 220 1.000 28.513 22.639 34.618 -99.200 -91.000 HIS 231 0.900 44.315 23.510 31.995 -99.200 -91.000