============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 7 0.840 17.260 22.124 22.043 -99.200 -91.000 TYR 8 0.840 14.559 28.441 18.416 -99.200 -91.000 TYR 11 0.840 6.024 25.700 15.854 -99.200 -91.000 HIS 13 0.900 8.667 19.324 14.139 -99.200 -91.000 PHE 47 1.000 8.141 29.598 22.315 -99.200 -91.000 TYR 68 0.840 29.758 21.870 27.503 -99.200 -91.000 PHE 73 1.000 27.510 24.902 17.409 -99.200 -91.000 PHE 79 1.000 11.969 32.283 4.559 -99.200 -91.000 PHE 89 1.000 24.258 30.844 22.673 -99.200 -91.000 TRP 97 1.040 36.795 35.212 16.213 -99.200 -91.000 TRP6 97 1.020 37.946 37.282 16.083 -99.200 -91.000 TYR 103 0.840 42.299 27.721 16.188 -99.200 -91.000 PHE 110 1.000 20.992 18.458 16.198 -99.200 -91.000 TRP 127 1.040 29.341 22.233 8.474 -99.200 -91.000 TRP6 127 1.020 29.756 20.922 6.534 -99.200 -91.000 HIS 132 0.900 34.260 33.497 9.523 -99.200 -91.000 HIS 133 0.900 33.681 31.291 17.597 -99.200 -91.000 TYR 142 0.840 26.428 9.769 1.137 -99.200 -91.000 PHE 148 1.000 24.801 4.390 1.096 -99.200 -91.000 TYR 159 0.840 26.249 18.318 2.549 -99.200 -91.000 TYR 183 0.840 27.622 7.529 12.265 -99.200 -91.000 TYR 187 0.840 32.367 10.440 12.810 -99.200 -91.000