============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 27 1.000 -76.114 73.972-154.247 -99.200 -91.000 TYR 32 0.840 -80.217 72.888-157.396 -99.200 -91.000 TRP 36 1.040 -80.381 66.336-143.448 -99.200 -91.000 TRP6 36 1.020 -78.136 66.843-142.961 -99.200 -91.000 TRP 47 1.040 -84.734 60.101-148.327 -99.200 -91.000 TRP6 47 1.020 -86.882 59.853-147.405 -99.200 -91.000 TYR 56 0.840 -95.859 69.766-151.341 -99.200 -91.000 HIS 58 0.900 -92.898 63.689-148.265 -99.200 -91.000 TYR 59 0.840 -89.158 64.250-141.080 -99.200 -91.000 PHE 67 1.000 -83.367 61.397-136.748 -99.200 -91.000 TYR 79 0.840 -79.711 75.043-140.211 -99.200 -91.000 TYR 93 0.840 -77.407 60.526-139.400 -99.200 -91.000 TYR 94 0.840 -72.263 60.309-146.617 -99.200 -91.000 TYR 105 0.840 -97.584 68.280-156.124 -99.200 -91.000 PHE 111 1.000 -80.800 61.053-152.711 -99.200 -91.000 TRP 114 1.040 -74.274 62.082-152.792 -99.200 -91.000 TRP6 114 1.020 -75.177 60.412-151.393 -99.200 -91.000 PHE 133 1.000 -48.541 54.832-126.701 -99.200 -91.000 TYR 156 0.840 -59.594 55.680-132.001 -99.200 -91.000 PHE 157 1.000 -67.097 54.630-127.776 -99.200 -91.000 TRP 165 1.040 -48.454 59.852-141.807 -99.200 -91.000 TRP6 165 1.020 -46.765 59.351-140.240 -99.200 -91.000 HIS 175 0.900 -50.642 51.368-147.877 -99.200 -91.000 PHE 177 1.000 -52.422 49.268-142.050 -99.200 -91.000 TYR 187 0.840 -64.074 51.772-132.491 -99.200 -91.000 TYR 205 0.840 -40.348 61.206-143.113 -99.200 -91.000 HIS 211 0.900 -61.369 60.694-130.333 -99.200 -91.000