============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 25 1.000 44.281 73.312 48.107 -99.200 -91.000 PHE 30 1.000 51.210 70.830 52.011 -99.200 -91.000 TYR 33 0.840 55.780 66.197 61.909 -99.200 -91.000 TYR 42 0.840 61.050 59.275 46.914 -99.200 -91.000 HIS 53 0.900 66.033 61.822 60.846 -99.200 -91.000 PHE 91 1.000 48.288 63.856 54.389 -99.200 -91.000 PHE 105 1.000 43.745 56.781 74.512 -99.200 -91.000 PHE 130 1.000 26.518 56.244 51.054 -99.200 -91.000 HIS 144 0.900 28.357 55.428 71.951 -99.200 -91.000 TYR 148 0.840 28.873 57.283 65.391 -99.200 -91.000 PHE 154 1.000 27.138 70.743 63.346 -99.200 -91.000 TYR 155 0.840 32.945 65.835 55.914 -99.200 -91.000 PHE 183 1.000 12.537 54.709 62.953 -99.200 -91.000 PHE 194 1.000 15.731 58.443 61.475 -99.200 -91.000 PHE 216 1.000 31.690 43.168 63.960 -99.200 -91.000 HIS 249 0.900 38.547 54.928 32.777 -99.200 -91.000 TYR 255 0.840 35.571 54.801 49.298 -99.200 -91.000 HIS 258 0.900 33.482 62.091 46.059 -99.200 -91.000 PHE 264 1.000 33.252 65.618 61.466 -99.200 -91.000 HIS 274 0.900 43.556 54.530 48.812 -99.200 -91.000 TYR 284 0.840 41.593 63.418 43.917 -99.200 -91.000 HIS 290 0.900 42.052 75.220 50.912 -99.200 -91.000 TYR 303 0.840 25.533 70.977 68.208 -99.200 -91.000 TYR 304 0.840 28.801 67.681 69.881 -99.200 -91.000