============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TRP 7 1.040 23.943 11.077 1.599 -99.200 -91.000 TRP6 7 1.020 23.854 8.731 1.299 -99.200 -91.000 TYR 9 0.840 32.081 10.445 10.358 -99.200 -91.000 TYR 10 0.840 27.123 6.969 15.774 -99.200 -91.000 TYR 15 0.840 24.946 4.990 9.098 -99.200 -91.000 PHE 17 1.000 18.739 8.404 8.514 -99.200 -91.000 PHE 18 1.000 18.452 9.327 0.577 -99.200 -91.000 HIS 20 0.900 12.604 9.111 -3.034 -99.200 -91.000 TRP 24 1.040 14.819 -5.170 1.080 -99.200 -91.000 TRP6 24 1.020 16.360 -6.264 -0.344 -99.200 -91.000 TYR 30 0.840 16.087 6.974 -3.986 -99.200 -91.000 TYR 49 0.840 23.701 8.036 13.979 -99.200 -91.000 HIS 55 0.900 9.899 10.405 14.706 -99.200 -91.000 TRP 59 1.040 11.566 -1.414 2.311 -99.200 -91.000 TRP6 59 1.020 10.697 -3.501 3.032 -99.200 -91.000 TRP 71 1.040 15.909 -13.506 8.792 -99.200 -91.000 TRP6 71 1.020 14.509 -12.104 7.487 -99.200 -91.000 TRP 73 1.040 23.488 -7.587 8.212 -99.200 -91.000 TRP6 73 1.020 21.687 -6.095 8.650 -99.200 -91.000 PHE 84 1.000 19.951 -14.702 14.821 -99.200 -91.000 PHE 86 1.000 19.435 -4.768 19.393 -99.200 -91.000 TYR 98 0.840 8.839 -2.953 9.293 -99.200 -91.000 PHE 99 1.000 16.188 0.533 13.489 -99.200 -91.000 HIS 100 0.900 8.493 2.559 13.511 -99.200 -91.000 HIS 105 0.900 9.092 -4.927 14.006 -99.200 -91.000 PHE 108 1.000 3.990 -11.335 3.823 -99.200 -91.000 HIS 113 0.900 7.031 -0.651 5.198 -99.200 -91.000 TYR 114 0.840 8.056 7.189 4.012 -99.200 -91.000