============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. HIS 2 0.900 44.391 32.575 5.535 -99.200 -91.000 PHE 8 1.000 37.281 21.782 12.252 -99.200 -91.000 TRP 16 1.040 24.568 23.955 6.447 -99.200 -91.000 TRP6 16 1.020 23.040 23.972 8.277 -99.200 -91.000 TYR 48 0.840 6.703 19.794 15.460 -99.200 -91.000 HIS 52 0.900 12.620 21.089 15.728 -99.200 -91.000 HIS 57 0.900 18.509 24.041 9.489 -99.200 -91.000 TYR 70 0.840 10.449 33.428 6.657 -99.200 -91.000 PHE 77 1.000 5.950 24.486 12.281 -99.200 -91.000 TYR 97 0.840 6.968 30.835 5.495 -99.200 -91.000 TRP 98 1.040 14.018 23.427 3.367 -99.200 -91.000 TRP6 98 1.020 15.478 22.776 5.088 -99.200 -91.000 PHE 109 1.000 26.005 28.961 7.308 -99.200 -91.000 TRP 117 1.040 32.643 29.831 9.511 -99.200 -91.000 TRP6 117 1.020 30.432 29.234 10.065 -99.200 -91.000 PHE 118 1.000 37.919 28.085 13.506 -99.200 -91.000 HIS 121 0.900 27.530 30.241 21.138 -99.200 -91.000 PHE 129 1.000 35.339 32.234 22.210 -99.200 -91.000 HIS 134 0.900 34.949 23.926 24.072 -99.200 -91.000 HIS 147 0.900 17.823 19.914 15.168 -99.200 -91.000 TYR 149 0.840 17.297 12.709 16.793 -99.200 -91.000 HIS 150 0.900 14.561 16.165 14.502 -99.200 -91.000 TYR 156 0.840 12.338 5.030 9.508 -99.200 -91.000