============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 4 0.840 126.250 47.588 -36.790 -99.200 -91.000 TYR 6 0.840 132.749 54.482 -37.268 -99.200 -91.000 PHE 17 1.000 142.679 37.651 -26.988 -99.200 -91.000 PHE 37 1.000 121.006 23.273 8.014 -99.200 -91.000 TRP 69 1.040 133.487 21.256 4.627 -99.200 -91.000 TRP6 69 1.020 132.204 21.118 6.601 -99.200 -91.000 PHE 80 1.000 122.714 29.068 10.203 -99.200 -91.000 TYR 96 0.840 120.546 32.667 28.612 -99.200 -91.000 PHE 113 1.000 139.564 21.548 11.523 -99.200 -91.000 PHE 127 1.000 118.822 28.319 20.609 -99.200 -91.000 HIS 130 0.900 107.412 31.459 20.843 -99.200 -91.000 TYR 141 0.840 104.994 42.980 18.180 -99.200 -91.000 HIS 158 0.900 126.402 32.366 19.829 -99.200 -91.000 HIS 188 0.900 133.990 38.655 24.813 -99.200 -91.000 TYR 196 0.840 121.673 36.402 9.054 -99.200 -91.000 TYR 200 0.840 113.912 41.963 1.508 -99.200 -91.000 TYR 204 0.840 112.654 32.191 -3.398 -99.200 -91.000 TYR 205 0.840 113.949 33.026 4.810 -99.200 -91.000 PHE 208 1.000 117.803 27.609 8.691 -99.200 -91.000 TYR 219 0.840 109.820 38.328 13.510 -99.200 -91.000 HIS 231 0.900 115.560 54.886 5.052 -99.200 -91.000 TYR 252 0.840 114.397 39.200 -1.580 -99.200 -91.000 PHE 263 1.000 124.027 52.139 3.398 -99.200 -91.000 PHE 268 1.000 130.507 39.278 4.145 -99.200 -91.000 TYR 270 0.840 122.129 31.752 4.719 -99.200 -91.000 TYR 276 0.840 122.054 22.621 -1.811 -99.200 -91.000 HIS 279 0.900 119.962 27.598 -8.337 -99.200 -91.000 TRP 287 1.040 113.847 18.933 -15.473 -99.200 -91.000 TRP6 287 1.020 112.306 19.475 -13.832 -99.200 -91.000 PHE 300 1.000 124.129 34.955 -4.578 -99.200 -91.000 TYR 311 0.840 122.538 25.813 3.193 -99.200 -91.000 PHE 312 1.000 124.367 24.612 -5.066 -99.200 -91.000