============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 6 0.840 58.135 24.489 80.802 -99.200 -91.000 TYR 16 0.840 55.473 20.446 77.976 -99.200 -91.000 PHE 19 1.000 60.374 24.065 76.620 -99.200 -91.000 TYR 35 0.840 52.882 13.571 52.590 -99.200 -91.000 TYR 49 0.840 76.460 22.754 68.140 -99.200 -91.000 TYR 72 0.840 70.517 11.912 68.842 -99.200 -91.000 TYR 76 0.840 73.811 18.408 83.164 -99.200 -91.000 PHE 80 1.000 79.588 23.247 92.538 -99.200 -91.000 TYR 86 0.840 83.238 22.449 80.987 -99.200 -91.000 HIS 87 0.900 77.312 19.010 84.965 -99.200 -91.000 PHE 89 1.000 74.820 12.739 77.596 -99.200 -91.000 TYR 118 0.840 75.994 8.866 82.527 -99.200 -91.000 TYR 122 0.840 65.916 7.353 75.163 -99.200 -91.000 PHE 157 1.000 75.444 15.682 89.658 -99.200 -91.000 PHE 165 1.000 68.446 17.033 84.439 -99.200 -91.000 PHE 179 1.000 58.232 10.945 67.796 -99.200 -91.000 TYR 181 0.840 50.990 9.240 71.980 -99.200 -91.000 PHE 190 1.000 51.353 21.141 82.630 -99.200 -91.000 PHE 194 1.000 53.491 11.130 81.514 -99.200 -91.000 TRP 207 1.040 62.151 11.940 64.981 -99.200 -91.000 TRP6 207 1.020 64.266 13.011 64.999 -99.200 -91.000 HIS 215 0.900 62.271 12.813 51.923 -99.200 -91.000 TRP 236 1.040 49.183 2.714 64.673 -99.200 -91.000 TRP6 236 1.020 50.313 4.742 65.128 -99.200 -91.000 TYR 253 0.840 68.583 16.736 55.454 -99.200 -91.000