============================================================================= 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. TYR 20 0.840 24.007 19.008 -6.651 -99.200 -91.000 HIS 41 0.900 20.347 12.961 0.888 -99.200 -91.000 HIS 47 0.900 27.653 21.858 11.251 -99.200 -91.000 PHE 56 1.000 22.417 24.351 20.486 -99.200 -91.000 PHE 60 1.000 28.319 20.642 20.785 -99.200 -91.000 TRP 61 1.040 23.074 19.228 12.810 -99.200 -91.000 TRP6 61 1.020 21.434 17.773 13.683 -99.200 -91.000 TYR 64 0.840 15.632 18.116 19.266 -99.200 -91.000 TYR 69 0.840 12.991 20.632 -0.551 -99.200 -91.000 HIS 94 0.900 23.162 14.904 6.338 -99.200 -91.000 TYR 95 0.840 18.474 20.014 10.441 -99.200 -91.000 PHE 109 1.000 10.777 20.384 -10.664 -99.200 -91.000 TYR 114 0.840 17.214 23.494 -10.968 -99.200 -91.000 PHE 118 1.000 18.583 24.983 2.595 -99.200 -91.000 TYR 119 0.840 9.642 29.995 6.735 -99.200 -91.000 PHE 128 1.000 16.849 22.125 22.121 -99.200 -91.000 HIS 131 0.900 18.660 25.349 31.817 -99.200 -91.000 TRP 141 1.040 15.372 29.096 20.836 -99.200 -91.000 TRP6 141 1.020 17.383 28.253 19.931 -99.200 -91.000 PHE 142 1.000 16.846 30.736 14.536 -99.200 -91.000 PHE 145 1.000 17.368 32.178 9.489 -99.200 -91.000 TYR 149 0.840 22.117 28.561 0.349 -99.200 -91.000 PHE 151 1.000 21.461 24.258 -7.240 -99.200 -91.000 TYR 153 0.840 20.598 18.563 -11.352 -99.200 -91.000