============================================================================= 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 17 0.840 25.773 -16.248 30.135 -99.200 -91.000 PHE 30 1.000 16.869 -20.629 29.409 -99.200 -91.000 HIS 49 0.900 23.854 -22.069 39.624 -99.200 -91.000 TYR 53 0.840 28.855 -12.219 42.565 -99.200 -91.000 TYR 64 0.840 5.322 -24.709 23.371 -99.200 -91.000 HIS 108 0.900 -1.047 -22.074 27.006 -99.200 -91.000 TYR 111 0.840 3.753 -15.184 19.927 -99.200 -91.000 HIS 126 0.900 4.902 -22.957 6.733 -99.200 -91.000 TYR 128 0.840 2.801 -12.601 7.303 -99.200 -91.000 PHE 141 1.000 20.452 -13.644 14.712 -99.200 -91.000 PHE 150 1.000 30.569 -6.802 4.608 -99.200 -91.000 TYR 152 0.840 37.329 -11.541 12.755 -99.200 -91.000 PHE 158 1.000 39.077 -1.461 4.340 -99.200 -91.000 HIS 173 0.900 22.106 -16.844 8.255 -99.200 -91.000 PHE 181 1.000 31.623 -5.991 -0.650 -99.200 -91.000 PHE 193 1.000 35.136 -2.425 0.030 -99.200 -91.000 TRP 221 1.040 31.276 -18.608 21.889 -99.200 -91.000 TRP6 221 1.020 30.110 -19.411 23.758 -99.200 -91.000 HIS 229 0.900 22.620 -5.102 18.655 -99.200 -91.000 HIS 236 0.900 16.473 -1.737 27.853 -99.200 -91.000 PHE 252 1.000 15.030 -2.586 0.386 -99.200 -91.000 HIS 254 0.900 12.574 -7.277 -5.234 -99.200 -91.000 PHE 259 1.000 14.662 -9.604 0.218 -99.200 -91.000 TRP 276 1.040 19.685 1.318 4.613 -99.200 -91.000 TRP6 276 1.020 21.277 -0.235 5.369 -99.200 -91.000 TYR 281 0.840 27.897 -6.540 -6.317 -99.200 -91.000 TYR 297 0.840 6.002 -19.809 1.968 -99.200 -91.000