============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 88 rings ring int. center anis. iso. TRP 14 1.040 112.154 27.995 40.386 -99.200 -91.000 TRP6 14 1.020 111.646 26.381 38.746 -99.200 -91.000 HIS 20 0.900 109.061 38.743 34.662 -99.200 -91.000 PHE 21 1.000 103.111 33.787 38.067 -99.200 -91.000 PHE 33 1.000 101.503 40.339 19.611 -99.200 -91.000 PHE 40 1.000 106.122 37.234 12.659 -99.200 -91.000 TYR 43 0.840 109.213 38.327 22.386 -99.200 -91.000 PHE 47 1.000 115.321 23.560 11.069 -99.200 -91.000 TYR 55 0.840 110.013 32.791 20.125 -99.200 -91.000 HIS 67 0.900 114.619 37.490 35.233 -99.200 -91.000 PHE 69 1.000 116.419 32.646 25.776 -99.200 -91.000 PHE 85 1.000 122.952 15.793 19.723 -99.200 -91.000 HIS 100 0.900 116.904 10.164 21.107 -99.200 -91.000 PHE 132 1.000 111.991 -7.542 4.305 -99.200 -91.000 TRP 141 1.040 108.919 -11.560 0.699 -99.200 -91.000 TRP6 141 1.020 110.804 -11.921 2.062 -99.200 -91.000 PHE 144 1.000 100.402 -19.757 1.392 -99.200 -91.000 TYR 165 0.840 97.742 4.528 13.172 -99.200 -91.000 TYR 174 0.840 105.617 12.945 0.572 -99.200 -91.000 HIS 177 0.900 102.564 -2.207 -4.396 -99.200 -91.000 HIS 181 0.900 96.014 -3.452 6.781 -99.200 -91.000 PHE 182 1.000 101.437 1.098 11.253 -99.200 -91.000 HIS 190 0.900 94.431 -2.376 17.124 -99.200 -91.000 PHE 205 1.000 100.349 -11.071 9.582 -99.200 -91.000 PHE 212 1.000 109.944 -12.210 17.846 -99.200 -91.000 HIS 222 0.900 103.301 -16.994 19.570 -99.200 -91.000 TRP 227 1.040 93.937 -14.949 9.351 -99.200 -91.000 TRP6 227 1.020 95.450 -13.886 7.882 -99.200 -91.000 PHE 228 1.000 101.372 -17.805 6.502 -99.200 -91.000 HIS 237 0.900 104.520 -22.762 2.501 -99.200 -91.000 HIS 241 0.900 103.170 -15.057 3.311 -99.200 -91.000 PHE 242 1.000 103.707 -14.337 10.538 -99.200 -91.000 PHE 255 1.000 106.028 -15.862 15.265 -99.200 -91.000 PHE 263 1.000 114.922 -6.334 8.431 -99.200 -91.000 PHE 265 1.000 114.810 -2.327 18.415 -99.200 -91.000 TRP 266 1.040 122.578 -1.582 17.957 -99.200 -91.000 TRP6 266 1.020 121.783 -0.486 16.023 -99.200 -91.000 TRP 268 1.040 123.384 2.460 21.491 -99.200 -91.000 TRP6 268 1.020 122.768 3.130 19.307 -99.200 -91.000 TYR 273 0.840 113.033 9.854 23.153 -99.200 -91.000 TRP 276 1.040 113.882 9.070 15.243 -99.200 -91.000 TRP6 276 1.020 113.116 10.714 13.722 -99.200 -91.000 TYR 289 0.840 117.142 3.465 2.641 -99.200 -91.000 PHE 292 1.000 113.365 5.324 8.115 -99.200 -91.000 HIS 300 0.900 122.751 14.929 10.784 -99.200 -91.000 HIS 305 0.900 117.883 25.504 15.407 -99.200 -91.000 PHE 306 1.000 118.913 20.421 21.737 -99.200 -91.000 PHE 311 1.000 121.538 27.055 25.910 -99.200 -91.000 TRP 325 1.040 106.089 32.589 31.807 -99.200 -91.000 TRP6 325 1.020 106.884 33.584 33.801 -99.200 -91.000 TYR 326 0.840 102.712 29.819 28.853 -99.200 -91.000 PHE 329 1.000 108.606 29.952 37.519 -99.200 -91.000 HIS 330 0.900 101.396 32.424 33.644 -99.200 -91.000 TYR 340 0.840 93.614 24.549 12.958 -99.200 -91.000 TYR 343 0.840