============================================================================= 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 -3.505 39.782 42.406 -99.200 -91.000 TRP6 12 1.020 -4.446 39.906 44.572 -99.200 -91.000 TYR 20 0.840 0.976 21.047 28.506 -99.200 -91.000 TRP 26 1.040 8.648 25.690 27.594 -99.200 -91.000 TRP6 26 1.020 8.940 24.021 29.244 -99.200 -91.000 HIS 28 0.900 -1.517 29.006 32.786 -99.200 -91.000 TRP 39 1.040 10.490 23.725 48.708 -99.200 -91.000 TRP6 39 1.020 9.814 21.513 48.209 -99.200 -91.000 HIS 45 0.900 -6.825 19.814 39.563 -99.200 -91.000 PHE 53 1.000 3.749 19.241 34.947 -99.200 -91.000 HIS 60 0.900 0.128 41.901 33.644 -99.200 -91.000 TYR 71 0.840 10.560 32.401 31.083 -99.200 -91.000 HIS 80 0.900 -2.047 14.824 51.824 -99.200 -91.000 TYR 82 0.840 -4.387 9.571 53.828 -99.200 -91.000 TRP 83 1.040 -4.292 13.612 43.668 -99.200 -91.000 TRP6 83 1.020 -6.315 14.820 43.459 -99.200 -91.000 TYR 91 0.840 -7.021 13.822 51.994 -99.200 -91.000 TYR 107 0.840 7.505 43.836 38.399 -99.200 -91.000 TYR 127 0.840 -10.100 41.189 44.734 -99.200 -91.000 TRP 131 1.040 -1.836 34.540 33.152 -99.200 -91.000 TRP6 131 1.020 -0.415 34.054 34.982 -99.200 -91.000 TYR 148 0.840 -15.111 41.096 46.717 -99.200 -91.000 TYR 154 0.840 -18.783 21.424 55.918 -99.200 -91.000 TYR 160 0.840 -25.130 27.551 48.132 -99.200 -91.000 TRP 161 1.040 -19.864 23.116 45.093 -99.200 -91.000 TRP6 161 1.020 -19.313 21.874 43.158 -99.200 -91.000 HIS 190 0.900 -3.896 36.006 45.789 -99.200 -91.000 TYR 197 0.840 -5.971 41.323 49.813 -99.200 -91.000 HIS 200 0.900 -7.148 32.459 54.611 -99.200 -91.000 PHE 205 1.000 -14.466 20.378 43.797 -99.200 -91.000 PHE 220 1.000 -10.950 28.885 45.351 -99.200 -91.000 TYR 226 0.840 -4.492 19.755 52.964 -99.200 -91.000 TRP 229 1.040 1.653 16.963 53.070 -99.200 -91.000 TRP6 229 1.020 1.671 18.191 51.051 -99.200 -91.000