============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 6 1.000 -24.800 0.579 -11.399 -99.200 -91.000 PHE 27 1.000 -16.344 -10.300 -7.995 -99.200 -91.000 PHE 30 1.000 -26.781 -5.911 -8.697 -99.200 -91.000 TRP 31 1.040 -23.387 -5.938 -0.861 -99.200 -91.000 TRP6 31 1.020 -23.363 -5.432 1.475 -99.200 -91.000 TRP 34 1.040 -30.889 -10.542 2.580 -99.200 -91.000 TRP6 34 1.020 -31.167 -8.245 2.046 -99.200 -91.000 PHE 42 1.000 -19.464 -7.874 0.527 -99.200 -91.000 TYR 44 0.840 -13.449 -16.930 1.253 -99.200 -91.000 TYR 49 0.840 -10.314 -3.601 -4.784 -99.200 -91.000 HIS 51 0.900 -2.453 -10.171 -8.092 -99.200 -91.000 PHE 52 1.000 -6.987 -11.014 -9.574 -99.200 -91.000 HIS 72 0.900 -19.400 2.370 9.574 -99.200 -91.000 PHE 74 1.000 -22.111 -7.882 5.761 -99.200 -91.000 TYR 78 0.840 -18.928 -9.970 8.522 -99.200 -91.000 PHE 82 1.000 -15.361 -5.370 -1.333 -99.200 -91.000 TYR 96 0.840 -26.928 -4.744 -13.912 -99.200 -91.000 PHE 105 1.000 -25.761 -9.433 -13.150 -99.200 -91.000 HIS 127 0.900 -6.347 -16.342 -8.613 -99.200 -91.000 TYR 129 0.840 -16.290 -16.795 -11.169 -99.200 -91.000