============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 12 1.040 -3.532 40.248 43.373 -99.200 -91.000 TRP6 12 1.020 -4.508 40.498 45.516 -99.200 -91.000 TYR 20 0.840 1.350 21.147 29.841 -99.200 -91.000 TRP 26 1.040 8.758 25.481 28.637 -99.200 -91.000 TRP6 26 1.020 9.068 23.822 30.296 -99.200 -91.000 HIS 28 0.900 -1.585 29.199 33.566 -99.200 -91.000 TRP 39 1.040 10.418 24.055 49.792 -99.200 -91.000 TRP6 39 1.020 9.733 21.883 49.158 -99.200 -91.000 HIS 45 0.900 -6.828 19.957 40.246 -99.200 -91.000 PHE 53 1.000 3.854 19.613 35.694 -99.200 -91.000 HIS 60 0.900 0.075 42.251 34.265 -99.200 -91.000 TYR 71 0.840 10.750 32.859 31.854 -99.200 -91.000 HIS 80 0.900 -2.077 15.226 52.513 -99.200 -91.000 TYR 82 0.840 -4.497 9.907 54.668 -99.200 -91.000 TRP 83 1.040 -4.352 13.940 44.420 -99.200 -91.000 TRP6 83 1.020 -6.417 15.098 44.286 -99.200 -91.000 TYR 91 0.840 -6.938 14.058 52.659 -99.200 -91.000 TYR 107 0.840 7.681 44.293 39.048 -99.200 -91.000 TYR 127 0.840 -10.128 41.571 45.902 -99.200 -91.000 TRP 131 1.040 -1.772 34.867 33.976 -99.200 -91.000 TRP6 131 1.020 -0.358 34.220 35.761 -99.200 -91.000 TYR 148 0.840 -15.248 41.476 47.394 -99.200 -91.000 TYR 154 0.840 -18.789 21.812 56.444 -99.200 -91.000 TYR 160 0.840 -25.267 27.914 48.951 -99.200 -91.000 TRP 161 1.040 -20.051 23.456 45.688 -99.200 -91.000 TRP6 161 1.020 -19.581 22.135 43.779 -99.200 -91.000 HIS 190 0.900 -3.889 36.380 46.546 -99.200 -91.000 TYR 197 0.840 -5.816 41.540 50.348 -99.200 -91.000 HIS 200 0.900 -7.039 32.778 55.480 -99.200 -91.000 PHE 205 1.000 -14.722 20.675 44.350 -99.200 -91.000 PHE 220 1.000 -10.944 29.258 46.124 -99.200 -91.000 TYR 226 0.840 -4.594 19.909 53.779 -99.200 -91.000 TRP 229 1.040 1.699 17.098 54.118 -99.200 -91.000 TRP6 229 1.020 1.769 18.256 52.050 -99.200 -91.000