============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 3 1.040 13.198 144.593 58.801 -99.200 -91.000 TRP6 3 1.020 14.932 146.088 58.232 -99.200 -91.000 PHE 4 1.000 20.017 136.933 58.665 -99.200 -91.000 PHE 7 1.000 19.771 139.205 67.254 -99.200 -91.000 TRP 11 1.040 28.329 139.424 65.779 -99.200 -91.000 TRP6 11 1.020 29.422 137.800 64.457 -99.200 -91.000 PHE 16 1.000 23.900 144.948 58.462 -99.200 -91.000 TYR 25 0.840 17.937 125.429 49.120 -99.200 -91.000 TYR 31 0.840 29.599 118.358 56.481 -99.200 -91.000 PHE 37 1.000 18.166 137.514 53.481 -99.200 -91.000 TYR 42 0.840 23.516 146.165 51.978 -99.200 -91.000 PHE 60 1.000 32.268 145.479 45.136 -99.200 -91.000 TYR 62 0.840 36.323 137.531 52.286 -99.200 -91.000 HIS 63 0.900 34.085 136.699 47.520 -99.200 -91.000 HIS 68 0.900 42.431 140.269 42.281 -99.200 -91.000 TYR 97 0.840 45.896 137.172 39.390 -99.200 -91.000 TYR 119 0.840 18.725 129.583 44.941 -99.200 -91.000 PHE 120 1.000 24.137 134.018 46.454 -99.200 -91.000 TYR 127 0.840 32.792 126.288 42.201 -99.200 -91.000 PHE 135 1.000 41.118 118.018 45.032 -99.200 -91.000 PHE 142 1.000 43.547 119.322 49.248 -99.200 -91.000 TYR 150 0.840 48.128 123.741 46.761 -99.200 -91.000 PHE 164 1.000 44.237 125.637 58.871 -99.200 -91.000 TYR 165 0.840 47.502 129.895 60.268 -99.200 -91.000 TYR 169 0.840 57.130 127.256 56.945 -99.200 -91.000 TYR 177 0.840 54.386 135.646 49.109 -99.200 -91.000 TRP 186 1.040 36.413 149.288 64.286 -99.200 -91.000 TRP6 186 1.020 36.948 151.025 65.794 -99.200 -91.000 HIS 188 0.900 35.933 138.614 69.169 -99.200 -91.000 TYR 198 0.840 47.545 130.296 67.791 -99.200 -91.000 PHE 203 1.000 53.492 130.955 57.289 -99.200 -91.000 TYR 208 0.840 44.394 142.334 61.014 -99.200 -91.000 TYR 216 0.840 31.979 139.296 55.708 -99.200 -91.000 PHE 245 1.000 43.749 140.510 36.741 -99.200 -91.000 TYR 250 0.840 37.732 147.501 48.813 -99.200 -91.000 TYR 251 0.840 44.572 144.879 44.317 -99.200 -91.000 TYR 253 0.840 51.189 149.791 42.470 -99.200 -91.000 HIS 256 0.900 48.813 144.779 47.508 -99.200 -91.000 PHE 260 1.000 48.991 144.451 54.009 -99.200 -91.000 PHE 265 1.000 42.009 149.988 67.996 -99.200 -91.000