============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. HIS 8 0.900 31.893 37.634 22.382 -99.200 -91.000 TRP 9 1.040 28.209 38.577 29.489 -99.200 -91.000 TRP6 9 1.020 29.687 37.447 30.957 -99.200 -91.000 TYR 11 0.840 30.535 29.883 22.759 -99.200 -91.000 HIS 21 0.900 23.528 16.205 28.874 -99.200 -91.000 PHE 22 1.000 28.900 17.664 26.848 -99.200 -91.000 TRP 23 1.040 30.311 16.751 37.092 -99.200 -91.000 TRP6 23 1.020 29.669 18.517 38.533 -99.200 -91.000 TYR 35 0.840 39.702 7.111 27.645 -99.200 -91.000 TYR 37 0.840 30.868 10.049 30.006 -99.200 -91.000 PHE 42 1.000 40.655 21.697 29.752 -99.200 -91.000 TRP 46 1.040 40.884 26.744 26.380 -99.200 -91.000 TRP6 46 1.020 42.689 26.992 27.895 -99.200 -91.000 TYR 51 0.840 33.546 32.358 22.278 -99.200 -91.000 HIS 60 0.900 35.692 39.602 18.241 -99.200 -91.000 TYR 61 0.840 46.020 37.193 20.494 -99.200 -91.000 TYR 64 0.840 42.565 33.925 15.525 -99.200 -91.000 TRP 67 1.040 38.531 28.808 17.424 -99.200 -91.000 TRP6 67 1.020 38.618 30.142 15.476 -99.200 -91.000 TRP 80 1.040 40.865 8.918 23.211 -99.200 -91.000 TRP6 80 1.020 40.610 10.594 24.865 -99.200 -91.000 PHE 85 1.000 33.181 -0.613 20.887 -99.200 -91.000 TRP 90 1.040 47.835 6.726 22.910 -99.200 -91.000 TRP6 90 1.020 46.454 8.507 23.636 -99.200 -91.000 PHE 95 1.000 49.341 13.643 10.229 -99.200 -91.000 TRP 117 1.040 52.346 40.254 -0.384 -99.200 -91.000 TRP6 117 1.020 54.094 38.661 -0.276 -99.200 -91.000 TYR 120 0.840 43.300 37.633 1.535 -99.200 -91.000 TRP 122 1.040 51.658 33.311 7.168 -99.200 -91.000 TRP6 122 1.020 52.595 31.357 8.123 -99.200 -91.000 TYR 123 0.840 41.530 31.480 4.121 -99.200 -91.000 PHE 130 1.000 39.149 22.288 7.433 -99.200 -91.000 TRP 135 1.040 44.018 11.558 3.165 -99.200 -91.000 TRP6 135 1.020 45.609 10.650 4.658 -99.200 -91.000 TRP 138 1.040 35.719 12.786 5.860 -99.200 -91.000 TRP6 138 1.020 33.645 11.656 5.679 -99.200 -91.000 TYR 156 0.840 34.959 8.206 12.412 -99.200 -91.000 TYR 162 0.840 27.104 17.990 14.377 -99.200 -91.000 PHE 163 1.000 35.528 16.821 14.126 -99.200 -91.000 TRP 167 1.040 35.806 20.829 13.083 -99.200 -91.000 TRP6 167 1.020 38.083 20.526 13.624 -99.200 -91.000 TYR 170 0.840 34.521 26.749 13.460 -99.200 -91.000 TRP 174 1.040 40.107 34.053 9.617 -99.200 -91.000 TRP6 174 1.020 41.403 34.965 7.860 -99.200 -91.000 PHE 181 1.000 37.625 37.286 -0.122 -99.200 -91.000 TRP 183 1.040 32.367 39.911 0.198 -99.200 -91.000 TRP6 183 1.020 32.698 37.715 -0.614 -99.200 -91.000 PHE 191 1.000 23.691 35.213 15.228 -99.200 -91.000 PHE 193 1.000 34.508 32.974 13.267 -99.200 -91.000 PHE 198 1.000 25.065 25.264 21.722 -99.200 -91.000 PHE 199 1.000 24.006 24.355 16.605 -99.200 -91.000 PHE 204 1.000 32.380 15.378 17.782 -99.200 -91.000 PHE 206 1.000 22.622 15.934 23.279 -99.200 -91.000 HIS 210 0.900 23.014 12.076 25.330 -99.200 -91.000