============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. TRP 8 1.040 -8.247 -3.440 3.525 -99.200 -91.000 TRP6 8 1.020 -10.142 -2.945 2.158 -99.200 -91.000 HIS 17 0.900 -11.932 0.383 -9.509 -99.200 -91.000 PHE 21 1.000 -10.552 1.500 -2.190 -99.200 -91.000 TRP 24 1.040 -14.979 -0.213 3.419 -99.200 -91.000 TRP6 24 1.020 -12.913 0.922 3.384 -99.200 -91.000 PHE 25 1.000 -11.868 6.407 0.197 -99.200 -91.000 HIS 51 0.900 -9.807 13.736 -7.111 -99.200 -91.000 TYR 55 0.840 -11.407 10.903 1.022 -99.200 -91.000 PHE 58 1.000 -0.671 13.554 -0.933 -99.200 -91.000 PHE 59 1.000 -2.446 6.464 -5.751 -99.200 -91.000 TYR 67 0.840 7.866 -6.317 -3.868 -99.200 -91.000 TYR 73 0.840 -7.229 7.117 -2.214 -99.200 -91.000 PHE 85 1.000 11.992 4.083 7.382 -99.200 -91.000 PHE 90 1.000 16.618 -0.590 5.200 -99.200 -91.000 PHE 101 1.000 -2.134 14.125 7.532 -99.200 -91.000 PHE 104 1.000 -2.270 13.063 13.233 -99.200 -91.000 TYR 107 0.840 6.865 7.668 11.011 -99.200 -91.000 TYR 110 0.840 3.781 -4.643 2.147 -99.200 -91.000 PHE 111 1.000 6.885 -1.544 9.711 -99.200 -91.000 TYR 123 0.840 14.639 -4.867 2.632 -99.200 -91.000 PHE 127 1.000 11.052 -0.937 6.005 -99.200 -91.000 TYR 128 0.840 9.874 -5.307 12.127 -99.200 -91.000 PHE 131 1.000 8.698 2.346 12.650 -99.200 -91.000 PHE 151 1.000 4.007 -2.066 12.884 -99.200 -91.000 HIS 155 0.900 3.836 -7.691 21.217 -99.200 -91.000 PHE 172 1.000 3.832 -16.250 17.636 -99.200 -91.000 TRP 179 1.040 12.142 -3.951 15.990 -99.200 -91.000 TRP6 179 1.020 10.094 -2.966 15.303 -99.200 -91.000 PHE 183 1.000 6.982 0.609 17.398 -99.200 -91.000 TYR 188 0.840 7.438 5.011 19.576 -99.200 -91.000 PHE 192 1.000 -7.852 -5.027 18.684 -99.200 -91.000 PHE 195 1.000 -9.301 2.345 23.209 -99.200 -91.000 TYR 202 0.840 -6.893 -14.434 15.056 -99.200 -91.000 TRP 204 1.040 -2.743 -12.514 5.719 -99.200 -91.000 TRP6 204 1.020 -1.841 -14.633 6.231 -99.200 -91.000 TRP 205 1.040 -8.824 -14.216 8.897 -99.200 -91.000 TRP6 205 1.020 -9.259 -11.886 8.685 -99.200 -91.000 TYR 207 0.840 -7.216 -13.508 -1.030 -99.200 -91.000 TRP 218 1.040 -1.098 -15.932 10.922 -99.200 -91.000 TRP6 218 1.020 1.173 -16.238 11.403 -99.200 -91.000 TYR 222 0.840 0.531 -5.240 15.279 -99.200 -91.000 PHE 223 1.000 -4.473 3.162 12.637 -99.200 -91.000 PHE 224 1.000 2.632 -0.798 17.555 -99.200 -91.000 PHE 229 1.000 -1.420 12.118 19.202 -99.200 -91.000 TRP 237 1.040 -13.241 0.211 14.096 -99.200 -91.000 TRP6 237 1.020 -12.600 2.490 14.111 -99.200 -91.000 HIS 247 0.900 -2.792 -8.135 5.307 -99.200 -91.000 HIS 259 0.900 -2.814 23.628 19.536 -99.200 -91.000 HIS 260 0.900 -7.108 24.417 25.733 -99.200 -91.000