============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 27 1.000 15.814 116.845 -1.072 -99.200 -91.000 PHE 29 1.000 17.832 121.005 -5.199 -99.200 -91.000 TYR 32 0.840 10.609 117.828 -1.444 -99.200 -91.000 TRP 33 1.040 7.950 125.830 -2.975 -99.200 -91.000 TRP6 33 1.020 7.593 128.167 -3.073 -99.200 -91.000 TRP 36 1.040 20.230 129.689 0.734 -99.200 -91.000 TRP6 36 1.020 22.172 128.548 1.448 -99.200 -91.000 TRP 47 1.040 12.387 132.448 5.488 -99.200 -91.000 TRP6 47 1.020 11.543 133.924 3.841 -99.200 -91.000 TYR 60 0.840 15.908 137.347 -2.431 -99.200 -91.000 PHE 68 1.000 20.528 138.519 2.690 -99.200 -91.000 TYR 80 0.840 24.707 127.016 -6.889 -99.200 -91.000 TYR 94 0.840 24.822 133.413 6.317 -99.200 -91.000 TYR 95 0.840 21.848 126.680 10.770 -99.200 -91.000 PHE 101 1.000 4.310 126.014 -1.307 -99.200 -91.000 TYR 104 0.840 -2.632 118.751 -3.312 -99.200 -91.000 HIS 106 0.900 -5.143 124.669 2.693 -99.200 -91.000 TYR 107 0.840 2.955 119.712 7.170 -99.200 -91.000 TYR 111 0.840 14.259 115.532 6.381 -99.200 -91.000 TRP 112 1.040 15.830 123.077 9.574 -99.200 -91.000 TRP6 112 1.020 16.067 125.367 10.122 -99.200 -91.000 PHE 131 1.000 48.485 126.929 25.584 -99.200 -91.000 TYR 154 0.840 39.098 129.318 18.342 -99.200 -91.000 PHE 155 1.000 38.482 136.675 13.741 -99.200 -91.000 TRP 163 1.040 38.343 114.854 23.983 -99.200 -91.000 TRP6 163 1.020 40.324 115.254 25.208 -99.200 -91.000 HIS 173 0.900 29.725 117.418 29.628 -99.200 -91.000 PHE 175 1.000 32.289 123.272 29.456 -99.200 -91.000 TYR 185 0.840 35.199 134.002 18.462 -99.200 -91.000 TYR 203 0.840 42.015 109.013 28.701 -99.200 -91.000 HIS 209 0.900 40.804 128.302 13.217 -99.200 -91.000