============================================================================= 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 10 0.900 -3.209 36.880 2.989 -99.200 -91.000 TYR 14 0.840 7.665 42.660 5.266 -99.200 -91.000 TRP 35 1.040 14.888 33.179 17.055 -99.200 -91.000 TRP6 35 1.020 15.157 33.957 19.267 -99.200 -91.000 HIS 41 0.900 6.256 50.443 23.002 -99.200 -91.000 HIS 55 0.900 -5.240 42.488 4.258 -99.200 -91.000 PHE 73 1.000 15.905 34.881 24.471 -99.200 -91.000 TYR 75 0.840 19.389 46.638 23.442 -99.200 -91.000 TYR 78 0.840 12.232 49.132 27.020 -99.200 -91.000 TYR 101 0.840 -0.380 32.647 0.579 -99.200 -91.000 HIS 106 0.900 16.178 37.455 4.089 -99.200 -91.000 TRP 125 1.040 -3.610 44.020 11.109 -99.200 -91.000 TRP6 125 1.020 -1.541 42.903 10.842 -99.200 -91.000 HIS 129 0.900 -6.800 62.381 9.939 -99.200 -91.000 TRP 134 1.040 -8.301 47.087 16.881 -99.200 -91.000 TRP6 134 1.020 -7.736 46.464 19.093 -99.200 -91.000 HIS 156 0.900 9.602 68.680 13.747 -99.200 -91.000 TYR 157 0.840 8.990 63.112 18.823 -99.200 -91.000 PHE 159 1.000 17.715 68.966 22.601 -99.200 -91.000 PHE 193 1.000 13.710 45.076 10.304 -99.200 -91.000 PHE 199 1.000 9.297 57.847 21.064 -99.200 -91.000 TYR 214 0.840 9.104 54.720 12.383 -99.200 -91.000 HIS 221 0.900 19.793 49.347 18.538 -99.200 -91.000 TRP 224 1.040 20.397 41.847 22.332 -99.200 -91.000 TRP6 224 1.020 18.167 42.163 21.618 -99.200 -91.000