============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 3 0.900 35.806 47.329 14.486 -99.200 -91.000 PHE 5 1.000 40.803 53.805 12.159 -99.200 -91.000 HIS 20 0.900 40.850 36.586 9.609 -99.200 -91.000 PHE 56 1.000 37.446 38.144 6.681 -99.200 -91.000 PHE 57 1.000 34.022 33.165 1.594 -99.200 -91.000 PHE 65 1.000 35.107 29.946 -2.216 -99.200 -91.000 PHE 72 1.000 24.441 37.657 5.934 -99.200 -91.000 PHE 80 1.000 33.347 46.862 10.298 -99.200 -91.000 TYR 88 0.840 36.644 53.048 14.266 -99.200 -91.000 PHE 90 1.000 37.886 54.179 7.334 -99.200 -91.000 TYR 100 0.840 47.717 34.010 3.527 -99.200 -91.000 PHE 112 1.000 34.794 38.378 -9.452 -99.200 -91.000 HIS 113 0.900 29.002 39.665 -5.247 -99.200 -91.000 TYR 114 0.840 28.245 45.107 -2.906 -99.200 -91.000 HIS 124 0.900 49.764 39.351 -0.175 -99.200 -91.000 HIS 125 0.900 49.489 32.435 -2.202 -99.200 -91.000 PHE 142 1.000 51.127 42.772 -6.170 -99.200 -91.000 HIS 173 0.900 55.523 39.025 -7.199 -99.200 -91.000 TRP 174 1.040 52.538 34.558 -12.003 -99.200 -91.000 TRP6 174 1.020 50.749 33.095 -11.540 -99.200 -91.000 HIS 179 0.900 47.731 28.884 0.772 -99.200 -91.000 TRP 191 1.040 50.043 47.523 -7.903 -99.200 -91.000 TRP6 191 1.020 48.419 47.612 -6.195 -99.200 -91.000 TYR 192 0.840 50.037 51.821 -0.674 -99.200 -91.000 PHE 196 1.000 46.399 52.624 -4.740 -99.200 -91.000