============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 8.445 6.067 18.429 -99.200 -91.000 TRP6 14 1.020 7.094 7.796 19.274 -99.200 -91.000 PHE 19 1.000 12.744 -5.384 3.269 -99.200 -91.000 TRP 37 1.040 22.864 10.202 14.210 -99.200 -91.000 TRP6 37 1.020 24.822 8.905 14.254 -99.200 -91.000 HIS 43 0.900 19.481 -9.306 19.491 -99.200 -91.000 TYR 47 0.840 23.704 -14.394 18.777 -99.200 -91.000 TRP 49 1.040 21.623 -17.944 16.268 -99.200 -91.000 TRP6 49 1.020 19.586 -16.782 16.495 -99.200 -91.000 PHE 53 1.000 22.570 -9.321 8.464 -99.200 -91.000 HIS 65 0.900 -1.022 0.501 10.183 -99.200 -91.000 TYR 70 0.840 7.336 1.452 -1.949 -99.200 -91.000 TYR 84 0.840 29.185 4.975 14.185 -99.200 -91.000 HIS 86 0.900 28.969 -0.075 24.945 -99.200 -91.000 TYR 89 0.840 26.269 -7.638 21.025 -99.200 -91.000 TRP 91 1.040 30.085 -11.461 20.244 -99.200 -91.000 TRP6 91 1.020 30.650 -13.746 20.088 -99.200 -91.000 PHE 110 1.000 12.010 14.822 11.862 -99.200 -91.000 TYR 113 0.840 1.039 9.232 7.697 -99.200 -91.000 HIS 115 0.900 7.584 14.393 15.431 -99.200 -91.000 TYR 132 0.840 5.505 4.301 37.786 -99.200 -91.000 TRP 139 1.040 5.247 -4.116 11.318 -99.200 -91.000 TRP6 139 1.020 6.743 -2.290 11.402 -99.200 -91.000 PHE 177 1.000 13.434 -1.677 30.759 -99.200 -91.000 TYR 181 0.840 0.327 -7.186 32.258 -99.200 -91.000 PHE 200 1.000 9.124 -0.792 28.190 -99.200 -91.000 PHE 206 1.000 6.697 14.178 35.938 -99.200 -91.000 TRP 210 1.040 4.338 9.180 23.246 -99.200 -91.000 TRP6 210 1.020 3.457 7.256 24.302 -99.200 -91.000 TYR 211 0.840 10.969 11.901 27.755 -99.200 -91.000 TRP 218 1.040 18.313 -11.023 26.985 -99.200 -91.000 TRP6 218 1.020 17.565 -12.313 28.818 -99.200 -91.000 TYR 228 0.840 8.500 -11.686 34.776 -99.200 -91.000 PHE 230 1.000 15.373 -10.374 31.618 -99.200 -91.000 TYR 231 0.840 11.517 -4.894 27.110 -99.200 -91.000 HIS 233 0.900 18.269 1.474 32.598 -99.200 -91.000 PHE 235 1.000 20.032 8.137 32.403 -99.200 -91.000 TRP 240 1.040 28.580 3.831 22.982 -99.200 -91.000 TRP6 240 1.020 26.774 3.061 21.678 -99.200 -91.000 PHE 248 1.000 32.953 8.884 15.936 -99.200 -91.000