============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 30 0.840 21.047 31.754 59.064 -99.200 -91.000 TYR 36 0.840 18.868 34.304 63.384 -99.200 -91.000 TRP 39 1.040 8.491 31.744 72.438 -99.200 -91.000 TRP6 39 1.020 6.562 30.382 72.211 -99.200 -91.000 HIS 53 0.900 16.182 39.177 71.691 -99.200 -91.000 PHE 75 1.000 12.901 25.985 69.007 -99.200 -91.000 TYR 90 0.840 1.453 34.699 76.008 -99.200 -91.000 TYR 91 0.840 -0.234 34.948 67.321 -99.200 -91.000 HIS 97 0.900 14.994 26.772 58.003 -99.200 -91.000 PHE 98 1.000 12.557 35.348 52.349 -99.200 -91.000 TYR 100 0.840 12.054 36.485 58.101 -99.200 -91.000 PHE 102 1.000 4.164 35.808 62.319 -99.200 -91.000 PHE 122 1.000 -31.661 47.443 78.468 -99.200 -91.000 PHE 139 1.000 -26.696 45.308 76.483 -99.200 -91.000 PHE 143 1.000 -21.193 35.405 80.395 -99.200 -91.000 TYR 144 0.840 -13.927 31.831 84.390 -99.200 -91.000 TRP 152 1.040 -33.435 36.252 72.265 -99.200 -91.000 TRP6 152 1.020 -34.235 38.127 73.474 -99.200 -91.000 TRP 167 1.040 -20.491 35.034 73.571 -99.200 -91.000 TRP6 167 1.020 -21.488 34.475 71.501 -99.200 -91.000 TYR 177 0.840 -14.590 35.061 78.891 -99.200 -91.000 TYR 190 0.840 -42.494 44.723 70.746 -99.200 -91.000 HIS 193 0.900 -45.712 37.155 68.621 -99.200 -91.000 TYR 196 0.840 -41.867 40.258 72.721 -99.200 -91.000 HIS 202 0.900 -22.399 30.760 83.548 -99.200 -91.000 PHE 213 1.000 -40.294 43.248 76.898 -99.200 -91.000