============================================================================= 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. HIS 20 0.900 116.637 42.979 61.397 -99.200 -91.000 TYR 78 0.840 113.026 46.125 78.106 -99.200 -91.000 TYR 102 0.840 104.440 39.763 77.033 -99.200 -91.000 TRP 108 1.040 122.544 33.746 77.675 -99.200 -91.000 TRP6 108 1.020 123.885 32.332 76.302 -99.200 -91.000 HIS 120 0.900 125.901 43.027 73.703 -99.200 -91.000 TYR 124 0.840 122.848 36.123 73.502 -99.200 -91.000 HIS 132 0.900 135.261 24.811 67.124 -99.200 -91.000 PHE 151 1.000 120.557 42.230 63.336 -99.200 -91.000 PHE 157 1.000 114.568 30.707 63.571 -99.200 -91.000 TRP 167 1.040 97.662 29.306 60.643 -99.200 -91.000 TRP6 167 1.020 96.604 29.445 58.564 -99.200 -91.000 TRP 194 1.040 123.265 21.402 64.902 -99.200 -91.000 TRP6 194 1.020 124.691 20.443 66.553 -99.200 -91.000 TRP 202 1.040 130.123 21.158 58.880 -99.200 -91.000 TRP6 202 1.020 130.259 22.470 56.925 -99.200 -91.000 TYR 217 0.840 134.049 22.631 45.339 -99.200 -91.000 TYR 218 0.840 130.314 28.153 49.091 -99.200 -91.000 TYR 221 0.840 140.270 31.031 44.518 -99.200 -91.000 TYR 228 0.840 139.882 40.562 48.626 -99.200 -91.000 PHE 238 1.000 125.533 25.403 37.974 -99.200 -91.000 TYR 239 0.840 135.923 22.798 39.371 -99.200 -91.000 TRP 262 1.040 139.461 20.171 47.593 -99.200 -91.000 TRP6 262 1.020 137.882 20.295 49.351 -99.200 -91.000 PHE 273 1.000 139.265 33.156 39.923 -99.200 -91.000 HIS 276 0.900 144.051 38.702 32.968 -99.200 -91.000 HIS 280 0.900 140.308 39.423 32.265 -99.200 -91.000 TRP 281 1.040 139.521 37.371 37.177 -99.200 -91.000 TRP6 281 1.020 140.213 35.908 35.444 -99.200 -91.000 PHE 285 1.000 134.672 33.220 35.107 -99.200 -91.000 PHE 298 1.000 128.818 46.769 54.171 -99.200 -91.000 HIS 302 0.900 126.615 53.955 45.038 -99.200 -91.000 HIS 306 0.900 120.153 41.192 39.639 -99.200 -91.000 PHE 313 1.000 121.215 48.057 49.336 -99.200 -91.000 TYR 314 0.840 114.937 53.624 51.581 -99.200 -91.000 TRP 320 1.040 123.187 54.542 48.118 -99.200 -91.000 TRP6 320 1.020 121.528 54.622 46.429 -99.200 -91.000 PHE 328 1.000 105.013 40.413 51.076 -99.200 -91.000 TRP 352 1.040 96.694 52.210 67.381 -99.200 -91.000 TRP6 352 1.020 98.335 50.905 68.492 -99.200 -91.000