============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 21 0.840 8.784 53.237 31.004 -99.200 -91.000 TRP 37 1.040 16.651 58.939 2.563 -99.200 -91.000 TRP6 37 1.020 17.717 57.637 4.230 -99.200 -91.000 TYR 39 0.840 5.957 56.213 6.438 -99.200 -91.000 PHE 49 1.000 16.570 57.942 20.804 -99.200 -91.000 HIS 88 0.900 22.210 44.306 33.152 -99.200 -91.000 PHE 89 1.000 24.161 49.414 27.353 -99.200 -91.000 PHE 111 1.000 16.754 31.930 32.901 -99.200 -91.000 PHE 120 1.000 8.070 38.070 24.170 -99.200 -91.000 TYR 122 0.840 16.093 30.926 20.929 -99.200 -91.000 TYR 154 0.840 28.909 62.323 13.485 -99.200 -91.000 PHE 160 1.000 17.897 55.421 9.057 -99.200 -91.000 PHE 162 1.000 19.303 49.229 15.792 -99.200 -91.000 PHE 176 1.000 -10.509 25.275 26.529 -99.200 -91.000 TRP 200 1.040 30.916 46.138 26.095 -99.200 -91.000 TRP6 200 1.020 30.619 48.438 25.625 -99.200 -91.000 PHE 203 1.000 35.788 51.900 24.562 -99.200 -91.000 PHE 213 1.000 29.365 54.924 18.538 -99.200 -91.000 PHE 222 1.000 14.471 44.261 2.797 -99.200 -91.000 TRP 224 1.040 18.608 34.865 8.030 -99.200 -91.000 TRP6 224 1.020 17.822 35.617 10.130 -99.200 -91.000 PHE 227 1.000 13.910 37.694 -0.441 -99.200 -91.000 PHE 250 1.000 3.824 38.126 10.621 -99.200 -91.000 HIS 253 0.900 13.050 42.809 15.621 -99.200 -91.000 HIS 281 0.900 3.453 57.137 15.424 -99.200 -91.000 TYR 314 0.840 12.803 39.666 11.478 -99.200 -91.000 TYR 320 0.840 15.117 30.314 12.704 -99.200 -91.000