============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 9 1.040 41.686 15.519 7.308 -99.200 -91.000 TRP6 9 1.020 42.442 13.569 8.414 -99.200 -91.000 TYR 10 0.840 45.485 17.243 -0.104 -99.200 -91.000 PHE 17 1.000 37.134 16.092 4.999 -99.200 -91.000 TYR 31 0.840 35.650 15.975 -0.943 -99.200 -91.000 TYR 42 0.840 31.531 21.653 -5.998 -99.200 -91.000 TYR 48 0.840 33.376 16.020 16.681 -99.200 -91.000 TRP 63 1.040 32.441 14.855 4.251 -99.200 -91.000 TRP6 63 1.020 33.962 13.313 5.159 -99.200 -91.000 TRP 67 1.040 28.965 16.284 -5.465 -99.200 -91.000 TRP6 67 1.020 31.220 16.768 -4.968 -99.200 -91.000 TYR 71 0.840 33.136 29.637 -9.817 -99.200 -91.000 HIS 75 0.900 21.108 19.924 -11.713 -99.200 -91.000 TRP 80 1.040 33.156 10.978 1.254 -99.200 -91.000 TRP6 80 1.020 32.315 12.915 0.205 -99.200 -91.000 TYR 84 0.840 40.845 11.379 13.979 -99.200 -91.000 TRP 96 1.040 32.664 7.299 -1.984 -99.200 -91.000 TRP6 96 1.020 31.542 7.006 -4.039 -99.200 -91.000 TRP 108 1.040 16.522 1.384 -13.040 -99.200 -91.000 TRP6 108 1.020 18.510 0.299 -13.605 -99.200 -91.000 HIS 115 0.900 36.597 1.172 -1.383 -99.200 -91.000 PHE 118 1.000 38.637 11.570 2.425 -99.200 -91.000