============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 23 1.000 14.882 7.196 -1.473 -99.200 -91.000 HIS 29 0.900 19.466 1.307 -10.956 -99.200 -91.000 TYR 41 0.840 41.142 3.983 -8.464 -99.200 -91.000 TYR 46 0.840 45.448 -10.373 -3.159 -99.200 -91.000 PHE 60 1.000 46.126 4.503 -8.270 -99.200 -91.000 HIS 70 0.900 28.707 8.984 -4.295 -99.200 -91.000 PHE 81 1.000 12.551 5.234 1.561 -99.200 -91.000 PHE 112 1.000 21.096 25.147 -5.399 -99.200 -91.000 HIS 116 0.900 19.873 28.017 -9.126 -99.200 -91.000 PHE 122 1.000 22.601 34.256 11.947 -99.200 -91.000 TYR 133 0.840 20.124 18.572 25.731 -99.200 -91.000 TYR 153 0.840 10.674 24.746 -4.827 -99.200 -91.000 TYR 162 0.840 14.792 38.223 1.019 -99.200 -91.000 HIS 188 0.900 -3.506 23.535 -3.669 -99.200 -91.000 PHE 194 1.000 5.834 21.511 6.367 -99.200 -91.000 PHE 197 1.000 8.370 9.533 -2.076 -99.200 -91.000 TYR 198 0.840 1.628 18.294 -2.240 -99.200 -91.000 HIS 216 0.900 15.918 18.475 17.656 -99.200 -91.000 TRP 221 1.040 3.657 28.129 11.383 -99.200 -91.000 TRP6 221 1.020 4.938 28.114 13.386 -99.200 -91.000 PHE 232 1.000 8.792 26.462 4.156 -99.200 -91.000 PHE 233 1.000 6.527 31.828 10.738 -99.200 -91.000 TRP 235 1.040 8.440 27.637 19.960 -99.200 -91.000 TRP6 235 1.020 8.263 25.725 21.362 -99.200 -91.000