============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 10 0.840 -106.455 -52.213 20.936 -99.200 -91.000 TYR 25 0.840 -95.842 -39.698 6.057 -99.200 -91.000 PHE 26 1.000 -93.562 -43.956 -3.248 -99.200 -91.000 HIS 28 0.900 -99.335 -35.855 1.290 -99.200 -91.000 PHE 32 1.000 -94.594 -32.339 -0.498 -99.200 -91.000 TRP 35 1.040 -96.399 -29.568 -7.437 -99.200 -91.000 TRP6 35 1.020 -97.608 -29.733 -5.411 -99.200 -91.000 TYR 45 0.840 -88.224 -43.095 -1.161 -99.200 -91.000 HIS 46 0.900 -84.863 -41.286 2.800 -99.200 -91.000 HIS 54 0.900 -93.122 -47.301 12.176 -99.200 -91.000 TYR 58 0.840 -97.927 -52.288 14.015 -99.200 -91.000 PHE 64 1.000 -94.151 -65.518 18.294 -99.200 -91.000 TYR 107 0.840 -106.349 -55.620 25.592 -99.200 -91.000 HIS 112 0.900 -99.954 -59.884 33.030 -99.200 -91.000 TYR 114 0.840 -95.901 -57.364 30.710 -99.200 -91.000 HIS 130 0.900 -92.672 -40.968 11.129 -99.200 -91.000 TRP 133 1.040 -89.542 -32.961 8.989 -99.200 -91.000 TRP6 133 1.020 -90.994 -33.176 7.145 -99.200 -91.000 TYR 149 0.840 -91.694 -25.042 4.021 -99.200 -91.000