============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TRP 11 1.040 25.241 -10.722 -2.379 -99.200 -91.000 TRP6 11 1.020 25.048 -11.220 -4.696 -99.200 -91.000 PHE 26 1.000 26.910 -8.809 7.856 -99.200 -91.000 HIS 33 0.900 21.858 -0.313 18.357 -99.200 -91.000 PHE 43 1.000 14.958 -18.344 -6.569 -99.200 -91.000 HIS 45 0.900 24.407 -15.772 -4.003 -99.200 -91.000 HIS 55 0.900 23.017 -11.083 15.662 -99.200 -91.000 PHE 58 1.000 22.558 -9.317 11.265 -99.200 -91.000 PHE 77 1.000 14.308 -21.706 1.800 -99.200 -91.000 TRP 81 1.040 11.709 -8.644 7.686 -99.200 -91.000 TRP6 81 1.020 11.936 -6.320 8.077 -99.200 -91.000 HIS 86 0.900 18.377 -1.013 -4.628 -99.200 -91.000 TRP 91 1.040 18.689 2.934 -12.025 -99.200 -91.000 TRP6 91 1.020 20.312 1.735 -13.275 -99.200 -91.000 TYR 92 0.840 19.270 -2.904 -16.849 -99.200 -91.000 TYR 93 0.840 16.429 -5.473 -13.620 -99.200 -91.000 PHE 112 1.000 7.206 -12.399 1.593 -99.200 -91.000 TRP 150 1.040 0.706 2.751 5.128 -99.200 -91.000 TRP6 150 1.020 2.561 3.764 4.041 -99.200 -91.000 TYR 157 0.840 15.742 9.990 -0.129 -99.200 -91.000 TRP 161 1.040 21.394 12.023 -6.051 -99.200 -91.000 TRP6 161 1.020 22.523 12.559 -4.046 -99.200 -91.000 HIS 178 0.900 15.343 9.539 5.414 -99.200 -91.000 TRP 184 1.040 2.270 12.353 0.367 -99.200 -91.000 TRP6 184 1.020 1.680 10.064 0.446 -99.200 -91.000 TYR 201 0.840 21.105 8.227 2.734 -99.200 -91.000 TYR 214 0.840 19.382 5.869 14.091 -99.200 -91.000 PHE 222 1.000 22.026 4.787 8.625 -99.200 -91.000 PHE 230 1.000 24.204 -4.064 7.430 -99.200 -91.000