============================================================================= 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. TYR 32 0.840 21.869 16.346 -14.925 -99.200 -91.000 TRP 35 1.040 20.253 6.486 -5.048 -99.200 -91.000 TRP6 35 1.020 19.231 4.418 -5.525 -99.200 -91.000 TYR 36 0.840 13.885 11.682 -3.171 -99.200 -91.000 TYR 49 0.840 22.777 17.064 -3.196 -99.200 -91.000 TYR 50 0.840 26.098 16.123 -10.020 -99.200 -91.000 PHE 62 1.000 20.864 5.745 4.885 -99.200 -91.000 TYR 71 0.840 23.542 6.971 -12.052 -99.200 -91.000 PHE 83 1.000 15.762 -3.964 8.715 -99.200 -91.000 TYR 86 0.840 16.297 2.649 1.713 -99.200 -91.000 TYR 87 0.840 9.780 4.251 -4.036 -99.200 -91.000 HIS 91 0.900 18.126 15.869 -11.739 -99.200 -91.000 TRP 96 1.040 12.543 15.903 -13.348 -99.200 -91.000 TRP6 96 1.020 13.061 17.128 -11.395 -99.200 -91.000 PHE 98 1.000 9.747 9.608 -7.893 -99.200 -91.000 PHE 116 1.000 -5.105 -22.021 11.184 -99.200 -91.000 PHE 118 1.000 -11.160 -19.167 8.913 -99.200 -91.000 PHE 139 1.000 3.411 -16.285 4.643 -99.200 -91.000 TYR 140 0.840 11.779 -14.148 6.380 -99.200 -91.000 TRP 148 1.040 -8.594 -19.735 -3.344 -99.200 -91.000 TRP6 148 1.020 -9.702 -20.723 -1.511 -99.200 -91.000 TYR 173 0.840 6.722 -10.656 5.431 -99.200 -91.000 TYR 186 0.840 -20.138 -22.548 -1.500 -99.200 -91.000 HIS 189 0.900 -18.120 -26.415 -9.531 -99.200 -91.000 TYR 192 0.840 -16.263 -24.727 -3.089 -99.200 -91.000 HIS 198 0.900 6.893 -20.178 3.124 -99.200 -91.000 PHE 209 1.000 -15.187 -25.489 2.471 -99.200 -91.000