============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 20 0.840 3.948 -7.563 39.399 -99.200 -91.000 HIS 22 0.900 3.145 -10.118 29.909 -99.200 -91.000 TRP 28 1.040 8.492 -1.817 36.749 -99.200 -91.000 TRP6 28 1.020 6.776 -1.198 38.299 -99.200 -91.000 PHE 33 1.000 14.490 11.896 35.139 -99.200 -91.000 HIS 34 0.900 9.607 11.565 33.005 -99.200 -91.000 TYR 38 0.840 16.233 7.999 38.073 -99.200 -91.000 HIS 45 0.900 -0.357 17.777 52.435 -99.200 -91.000 TYR 53 0.840 4.797 10.025 52.920 -99.200 -91.000 TYR 62 0.840 -6.553 5.796 47.573 -99.200 -91.000 TRP 63 1.040 -1.647 2.646 47.221 -99.200 -91.000 TRP6 63 1.020 -2.494 0.477 46.777 -99.200 -91.000 HIS 65 0.900 -1.001 4.904 60.117 -99.200 -91.000 TRP 108 1.040 3.351 5.140 40.335 -99.200 -91.000 TRP6 108 1.020 2.948 2.822 40.390 -99.200 -91.000 TRP 111 1.040 3.914 4.443 32.321 -99.200 -91.000 TRP6 111 1.020 1.892 3.916 31.279 -99.200 -91.000 HIS 118 0.900 5.481 11.062 26.239 -99.200 -91.000 PHE 123 1.000 13.460 7.902 31.168 -99.200 -91.000