============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 80.948 27.483 25.398 -99.200 -91.000 TRP6 14 1.020 81.054 26.979 23.133 -99.200 -91.000 PHE 19 1.000 69.552 26.988 41.603 -99.200 -91.000 TRP 37 1.040 86.632 15.754 34.077 -99.200 -91.000 TRP6 37 1.020 87.515 16.026 36.268 -99.200 -91.000 HIS 43 0.900 85.636 34.457 42.643 -99.200 -91.000 TYR 47 0.840 87.271 35.955 48.897 -99.200 -91.000 TRP 49 1.040 83.360 38.301 50.521 -99.200 -91.000 TRP6 49 1.020 82.934 38.338 48.201 -99.200 -91.000 PHE 53 1.000 79.185 27.633 48.550 -99.200 -91.000 HIS 65 0.900 67.888 32.354 26.153 -99.200 -91.000 TYR 70 0.840 63.019 21.923 35.608 -99.200 -91.000 TYR 84 0.840 89.269 16.517 41.659 -99.200 -91.000 HIS 86 0.900 96.935 25.383 40.879 -99.200 -91.000 TYR 89 0.840 91.499 30.486 45.358 -99.200 -91.000 TRP 91 1.040 92.102 31.621 50.646 -99.200 -91.000 TRP6 91 1.020 92.180 32.753 52.691 -99.200 -91.000 PHE 110 1.000 78.953 16.464 25.077 -99.200 -91.000 TYR 113 0.840 68.606 23.520 23.005 -99.200 -91.000 HIS 115 0.900 79.617 20.352 21.035 -99.200 -91.000 TYR 132 0.840 94.435 39.217 17.529 -99.200 -91.000 TRP 139 1.040 71.957 32.971 33.030 -99.200 -91.000 TRP6 139 1.020 73.286 31.037 32.807 -99.200 -91.000 TRP 146 1.040 75.882 53.876 43.509 -99.200 -91.000 TRP6 146 1.020 75.464 55.368 41.716 -99.200 -91.000 PHE 184 1.000 92.642 36.518 29.534 -99.200 -91.000 TYR 188 0.840 85.113 48.058 23.934 -99.200 -91.000 PHE 207 1.000 88.068 37.174 27.052 -99.200 -91.000 PHE 213 1.000 94.899 31.418 12.315 -99.200 -91.000 TRP 217 1.040 82.885 29.692 18.923 -99.200 -91.000 TRP6 217 1.020 82.774 32.049 19.369 -99.200 -91.000 TYR 218 0.840 90.789 26.333 20.258 -99.200 -91.000 TRP 225 1.040 91.352 39.815 39.844 -99.200 -91.000 TRP6 225 1.020 92.238 42.005 39.893 -99.200 -91.000 TYR 235 0.840 91.619 48.523 30.896 -99.200 -91.000 PHE 237 1.000 93.266 42.587 35.936 -99.200 -91.000 TYR 238 0.840 87.846 38.385 31.707 -99.200 -91.000 HIS 240 0.900 97.212 32.948 30.046 -99.200 -91.000 PHE 242 1.000 99.180 27.356 26.674 -99.200 -91.000 TRP 247 1.040 95.707 21.863 39.115 -99.200 -91.000 TRP6 247 1.020 93.422 22.393 39.016 -99.200 -91.000 PHE 255 1.000 92.268 13.053 40.667 -99.200 -91.000