============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TRP 5 1.040 18.320 20.181 -0.452 -99.200 -91.000 TRP6 5 1.020 19.124 19.186 -2.440 -99.200 -91.000 TYR 6 0.840 25.835 11.399 7.347 -99.200 -91.000 TYR 16 0.840 35.378 28.321 3.089 -99.200 -91.000 TYR 27 0.840 35.836 23.904 -14.384 -99.200 -91.000 PHE 39 1.000 30.027 27.439 0.621 -99.200 -91.000 HIS 40 0.900 25.119 31.113 4.593 -99.200 -91.000 TRP 43 1.040 19.711 25.527 -7.559 -99.200 -91.000 TRP6 43 1.020 18.821 23.929 -6.069 -99.200 -91.000 HIS 44 0.900 24.177 30.556 -10.716 -99.200 -91.000 TYR 61 0.840 18.769 22.811 7.213 -99.200 -91.000 TRP 62 1.040 15.385 26.473 2.168 -99.200 -91.000 TRP6 62 1.020 16.141 28.399 1.042 -99.200 -91.000 TYR 72 0.840 25.991 22.918 -0.128 -99.200 -91.000 TRP 76 1.040 20.012 32.942 4.016 -99.200 -91.000 TRP6 76 1.020 21.096 32.426 1.979 -99.200 -91.000 HIS 80 0.900 23.826 41.707 9.585 -99.200 -91.000 TRP 82 1.040 22.451 49.111 -0.374 -99.200 -91.000 TRP6 82 1.020 20.925 49.741 -2.069 -99.200 -91.000 PHE 109 1.000 18.153 43.727 -10.966 -99.200 -91.000 PHE 123 1.000 34.416 41.658 -10.832 -99.200 -91.000 TYR 143 0.840 28.629 39.438 -9.499 -99.200 -91.000 TYR 154 0.840 25.567 39.974 -14.387 -99.200 -91.000