============================================================================= 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 1 0.840 17.318 28.524 81.806 -99.200 -91.000 TYR 30 0.840 24.241 22.442 72.285 -99.200 -91.000 TRP 33 1.040 18.387 14.500 80.080 -99.200 -91.000 TRP6 33 1.020 16.420 14.888 81.325 -99.200 -91.000 TYR 34 0.840 25.163 15.352 84.542 -99.200 -91.000 TYR 35 0.840 21.269 5.738 87.887 -99.200 -91.000 TYR 47 0.840 27.928 14.533 75.059 -99.200 -91.000 PHE 50 1.000 21.886 14.092 69.229 -99.200 -91.000 TYR 84 0.840 17.136 8.065 85.692 -99.200 -91.000 TYR 85 0.840 19.243 14.823 90.510 -99.200 -91.000 TRP 89 1.040 26.238 24.855 80.697 -99.200 -91.000 TRP6 89 1.020 28.160 25.474 81.885 -99.200 -91.000 PHE 104 1.000 23.337 20.206 88.309 -99.200 -91.000 PHE 125 1.000 6.414 -1.184 118.899 -99.200 -91.000 PHE 146 1.000 6.237 0.551 102.856 -99.200 -91.000 TYR 147 0.840 7.199 -2.957 94.883 -99.200 -91.000 TRP 155 1.040 2.770 10.668 113.526 -99.200 -91.000 TRP6 155 1.020 2.905 8.855 115.030 -99.200 -91.000 TYR 179 0.840 11.366 -0.531 98.741 -99.200 -91.000 TYR 184 0.840 11.324 7.193 115.077 -99.200 -91.000 TRP 192 1.040 1.479 8.604 126.874 -99.200 -91.000 TRP6 192 1.020 0.375 7.763 124.963 -99.200 -91.000 HIS 195 0.900 -3.591 15.140 123.529 -99.200 -91.000 TYR 198 0.840 -0.885 11.902 121.151 -99.200 -91.000 HIS 204 0.900 1.410 0.880 99.495 -99.200 -91.000