============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 -6.530 32.410 86.685 -99.200 -91.000 TRP6 14 1.020 -7.044 32.736 84.400 -99.200 -91.000 PHE 19 1.000 -9.535 37.427 105.959 -99.200 -91.000 TRP 37 1.040 -14.196 20.165 92.888 -99.200 -91.000 TRP6 37 1.020 -13.364 18.953 94.740 -99.200 -91.000 HIS 43 0.900 3.597 25.693 101.891 -99.200 -91.000 TYR 47 0.840 6.004 23.170 108.026 -99.200 -91.000 TRP 49 1.040 7.279 27.327 110.433 -99.200 -91.000 TRP6 49 1.020 7.995 27.996 108.279 -99.200 -91.000 PHE 53 1.000 -5.051 27.641 109.273 -99.200 -91.000 HIS 65 0.900 -6.886 45.472 91.336 -99.200 -91.000 TYR 70 0.840 -17.280 43.427 100.928 -99.200 -91.000 TYR 84 0.840 -11.737 16.007 99.853 -99.200 -91.000 HIS 86 0.900 -0.294 13.207 96.971 -99.200 -91.000 TYR 89 0.840 2.285 18.459 103.066 -99.200 -91.000 TRP 91 1.040 3.435 17.625 108.882 -99.200 -91.000 TRP6 91 1.020 4.189 18.165 111.058 -99.200 -91.000 PHE 110 1.000 -17.772 30.068 86.668 -99.200 -91.000 TYR 113 0.840 -15.086 42.768 87.892 -99.200 -91.000 HIS 115 0.900 -14.165 32.153 82.676 -99.200 -91.000 TYR 132 0.840 9.145 26.909 75.659 -99.200 -91.000 TRP 139 1.040 -4.006 40.374 96.838 -99.200 -91.000 TRP6 139 1.020 -5.443 38.691 96.004 -99.200 -91.000 TRP 146 1.040 8.329 45.445 105.832 -99.200 -91.000 TRP6 146 1.020 7.628 43.252 105.284 -99.200 -91.000 PHE 184 1.000 7.006 24.448 87.475 -99.200 -91.000 TYR 188 0.840 13.749 37.015 84.060 -99.200 -91.000 PHE 207 1.000 5.219 29.175 86.166 -99.200 -91.000 PHE 213 1.000 0.314 24.543 70.274 -99.200 -91.000 TRP 217 1.040 -4.461 33.379 79.980 -99.200 -91.000 TRP6 217 1.020 -2.266 34.185 80.325 -99.200 -91.000 TYR 218 0.840 -4.426 24.878 78.758 -99.200 -91.000 TRP 225 1.040 10.270 24.249 97.982 -99.200 -91.000 TRP6 225 1.020 12.635 24.381 97.877 -99.200 -91.000 TYR 235 0.840 17.699 29.969 89.580 -99.200 -91.000 PHE 237 1.000 13.384 24.821 93.968 -99.200 -91.000 TYR 238 0.840 6.854 28.697 90.996 -99.200 -91.000 HIS 240 0.900 5.320 18.854 86.388 -99.200 -91.000 PHE 242 1.000 0.916 15.921 82.379 -99.200 -91.000 TRP 247 1.040 -4.443 13.341 95.354 -99.200 -91.000 TRP6 247 1.020 -4.883 15.623 95.794 -99.200 -91.000 PHE 255 1.000 -13.616 11.962 99.112 -99.200 -91.000