============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 9 1.000 1.618 -19.826 57.829 -99.200 -91.000 HIS 30 0.900 27.786 -11.916 78.699 -99.200 -91.000 TYR 36 0.840 24.312 -9.369 74.669 -99.200 -91.000 TYR 38 0.840 20.418 -8.173 68.850 -99.200 -91.000 TRP 39 1.040 11.601 -10.022 68.842 -99.200 -91.000 TRP6 39 1.020 10.468 -11.979 68.119 -99.200 -91.000 TYR 40 0.840 17.318 -8.472 62.774 -99.200 -91.000 HIS 49 0.900 11.909 -2.975 58.792 -99.200 -91.000 TYR 53 0.840 18.788 -1.711 71.030 -99.200 -91.000 HIS 54 0.900 21.701 -5.210 73.560 -99.200 -91.000 PHE 66 1.000 6.031 -2.816 65.334 -99.200 -91.000 PHE 75 1.000 14.122 -15.336 73.650 -99.200 -91.000 TYR 90 0.840 6.384 -8.734 62.328 -99.200 -91.000 TYR 91 0.840 12.604 -14.002 58.988 -99.200 -91.000 HIS 94 0.900 22.522 -16.834 68.329 -99.200 -91.000 PHE 102 1.000 19.501 -14.253 61.036 -99.200 -91.000 PHE 122 1.000 -7.567 -9.891 31.449 -99.200 -91.000 PHE 139 1.000 -4.843 -11.236 36.036 -99.200 -91.000 PHE 143 1.000 -8.996 -14.504 46.953 -99.200 -91.000 TYR 144 0.840 -9.359 -12.316 55.439 -99.200 -91.000 TRP 152 1.040 -9.134 -22.309 34.178 -99.200 -91.000 TRP6 152 1.020 -9.238 -20.418 32.791 -99.200 -91.000 TRP 167 1.040 -4.186 -18.238 46.752 -99.200 -91.000 TRP6 167 1.020 -4.324 -20.329 45.691 -99.200 -91.000 TYR 177 0.840 -4.573 -13.537 51.962 -99.200 -91.000 TYR 190 0.840 -7.756 -20.009 22.269 -99.200 -91.000 HIS 193 0.900 -12.862 -28.042 22.667 -99.200 -91.000 TYR 196 0.840 -11.341 -21.580 25.414 -99.200 -91.000 HIS 202 0.900 -13.956 -15.780 49.088 -99.200 -91.000 PHE 213 1.000 -11.754 -16.478 26.267 -99.200 -91.000