============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 7.617 -9.089 53.909 -99.200 -91.000 TRP6 14 1.020 7.093 -11.249 54.657 -99.200 -91.000 PHE 19 1.000 14.032 1.098 39.968 -99.200 -91.000 TRP 37 1.040 -5.007 -3.787 46.518 -99.200 -91.000 TRP6 37 1.020 -5.758 -1.574 46.190 -99.200 -91.000 HIS 43 0.900 8.694 10.215 52.902 -99.200 -91.000 TYR 47 0.840 8.917 16.056 51.356 -99.200 -91.000 TRP 49 1.040 13.053 17.460 49.051 -99.200 -91.000 TRP6 49 1.020 14.099 15.408 49.496 -99.200 -91.000 PHE 53 1.000 8.356 11.061 41.468 -99.200 -91.000 HIS 65 0.900 20.180 -11.292 48.054 -99.200 -91.000 TYR 70 0.840 15.560 -8.472 34.316 -99.200 -91.000 TYR 84 0.840 -6.819 4.307 45.129 -99.200 -91.000 HIS 86 0.900 -5.321 8.945 55.718 -99.200 -91.000 TYR 89 0.840 1.959 13.131 53.076 -99.200 -91.000 TRP 91 1.040 2.639 18.358 52.056 -99.200 -91.000 TRP6 91 1.020 3.803 20.411 51.921 -99.200 -91.000 PHE 110 1.000 0.716 -13.815 45.933 -99.200 -91.000 TYR 113 0.840 13.354 -16.683 44.590 -99.200 -91.000 HIS 115 0.900 3.657 -16.044 50.493 -99.200 -91.000 TYR 132 0.840 7.563 -7.284 73.390 -99.200 -91.000 TRP 139 1.040 17.880 -3.506 47.661 -99.200 -91.000 TRP6 139 1.020 15.629 -4.108 47.399 -99.200 -91.000 TRP 146 1.040 23.176 15.403 53.821 -99.200 -91.000 TRP6 146 1.020 22.040 15.860 55.857 -99.200 -91.000 PHE 184 1.000 6.276 1.385 64.939 -99.200 -91.000 TYR 188 0.840 19.608 -1.854 69.309 -99.200 -91.000 PHE 207 1.000 9.382 -2.301 63.708 -99.200 -91.000 PHE 213 1.000 -2.222 -18.673 70.433 -99.200 -91.000 TRP 217 1.040 8.161 -13.174 59.367 -99.200 -91.000 TRP6 217 1.020 9.605 -11.875 60.648 -99.200 -91.000 TYR 218 0.840 0.262 -10.633 62.006 -99.200 -91.000 TRP 225 1.040 8.782 11.401 61.024 -99.200 -91.000 TRP6 225 1.020 9.930 12.561 62.709 -99.200 -91.000 TYR 235 0.840 15.511 6.783 70.336 -99.200 -91.000 PHE 237 1.000 9.786 9.492 65.745 -99.200 -91.000 TYR 238 0.840 10.734 2.628 61.939 -99.200 -91.000 HIS 240 0.900 0.340 2.367 65.540 -99.200 -91.000 PHE 242 1.000 -4.908 -2.402 65.027 -99.200 -91.000 TRP 247 1.040 -6.872 5.738 53.742 -99.200 -91.000 TRP6 247 1.020 -4.763 5.061 52.944 -99.200 -91.000 PHE 255 1.000 -16.509 0.313 44.041 -99.200 -91.000