============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 -0.764 25.690 16.250 -99.200 -91.000 TRP6 14 1.020 0.063 27.802 15.655 -99.200 -91.000 PHE 19 1.000 -16.583 14.911 19.089 -99.200 -91.000 TRP 37 1.040 -1.779 16.492 3.761 -99.200 -91.000 TRP6 37 1.020 -1.854 14.101 3.886 -99.200 -91.000 HIS 43 0.900 -1.834 7.518 22.327 -99.200 -91.000 TYR 47 0.840 -2.056 1.144 23.047 -99.200 -91.000 TRP 49 1.040 -5.328 -0.016 26.426 -99.200 -91.000 TRP6 49 1.020 -5.116 2.297 26.887 -99.200 -91.000 PHE 53 1.000 -11.248 4.897 17.404 -99.200 -91.000 HIS 65 0.900 -11.103 29.037 24.144 -99.200 -91.000 TYR 70 0.840 -21.175 23.861 15.343 -99.200 -91.000 TYR 84 0.840 -1.679 8.704 4.263 -99.200 -91.000 HIS 86 0.900 7.418 5.753 10.961 -99.200 -91.000 TYR 89 0.840 1.636 3.098 16.885 -99.200 -91.000 TRP 91 1.040 0.931 -1.914 17.817 -99.200 -91.000 TRP6 91 1.020 0.495 -3.963 18.939 -99.200 -91.000 PHE 110 1.000 -4.639 27.768 6.053 -99.200 -91.000 TYR 113 0.840 -12.100 32.818 15.472 -99.200 -91.000 HIS 115 0.900 -2.040 30.795 9.724 -99.200 -91.000 TYR 132 0.840 17.192 26.550 23.959 -99.200 -91.000 TRP 139 1.040 -10.266 21.733 24.013 -99.200 -91.000 TRP6 139 1.020 -9.577 21.754 21.750 -99.200 -91.000 PHE 175 1.000 10.168 16.787 22.534 -99.200 -91.000 TYR 179 0.840 8.602 23.926 34.717 -99.200 -91.000 PHE 198 1.000 7.281 20.672 23.816 -99.200 -91.000 PHE 204 1.000 17.231 31.492 16.056 -99.200 -91.000 TRP 208 1.040 3.801 30.338 17.741 -99.200 -91.000 TRP6 208 1.020 4.246 29.755 19.991 -99.200 -91.000 TYR 209 0.840 9.543 26.711 12.617 -99.200 -91.000 TRP 216 1.040 5.601 7.517 25.942 -99.200 -91.000 TRP6 216 1.020 6.921 6.971 27.849 -99.200 -91.000 TYR 226 0.840 11.258 14.804 33.971 -99.200 -91.000 PHE 228 1.000 9.610 10.053 28.151 -99.200 -91.000 TYR 229 0.840 5.643 16.286 25.112 -99.200 -91.000 HIS 231 0.900 13.215 14.725 17.796 -99.200 -91.000 PHE 233 1.000 14.553 17.423 11.378 -99.200 -91.000 TRP 238 1.040 5.168 8.112 7.657 -99.200 -91.000 TRP6 238 1.020 3.759 9.274 9.132 -99.200 -91.000 PHE 246 1.000 -1.975 10.938 -2.449 -99.200 -91.000