============================================================================= 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 2.278 56.362 1.444 -99.200 -91.000 TRP6 14 1.020 0.508 55.640 2.842 -99.200 -91.000 PHE 19 1.000 7.085 60.462 -17.490 -99.200 -91.000 TRP 37 1.040 2.953 72.309 0.858 -99.200 -91.000 TRP6 37 1.020 4.929 73.464 0.254 -99.200 -91.000 HIS 43 0.900 19.731 61.731 -4.895 -99.200 -91.000 TYR 47 0.840 25.983 65.268 -7.651 -99.200 -91.000 TRP 49 1.040 27.442 63.619 -11.983 -99.200 -91.000 TRP6 49 1.020 26.075 61.946 -11.020 -99.200 -91.000 PHE 53 1.000 16.136 67.025 -14.198 -99.200 -91.000 HIS 65 0.900 -0.047 48.324 -9.513 -99.200 -91.000 TYR 70 0.840 -2.351 59.578 -18.894 -99.200 -91.000 TYR 84 0.840 9.274 76.479 -1.688 -99.200 -91.000 HIS 86 0.900 17.922 71.854 4.746 -99.200 -91.000 TYR 89 0.840 21.660 68.418 -2.145 -99.200 -91.000 TRP 91 1.040 25.765 71.045 -3.942 -99.200 -91.000 TRP6 91 1.020 27.766 71.467 -5.138 -99.200 -91.000 PHE 110 1.000 -6.129 64.112 0.197 -99.200 -91.000 TYR 113 0.840 -7.216 53.754 -7.518 -99.200 -91.000 HIS 115 0.900 -5.733 59.772 2.703 -99.200 -91.000 TYR 132 0.840 11.089 48.468 16.896 -99.200 -91.000 TRP 139 1.040 6.604 52.876 -10.406 -99.200 -91.000 TRP6 139 1.020 5.793 54.718 -9.167 -99.200 -91.000 TRP 146 1.040 24.929 51.213 -12.409 -99.200 -91.000 TRP6 146 1.020 26.967 51.030 -11.225 -99.200 -91.000 PHE 184 1.000 16.186 55.883 8.309 -99.200 -91.000 TYR 188 0.840 15.888 41.655 5.579 -99.200 -91.000 PHE 207 1.000 12.670 52.584 6.401 -99.200 -91.000 PHE 213 1.000 2.947 52.593 20.009 -99.200 -91.000 TRP 217 1.040 0.573 52.181 6.484 -99.200 -91.000 TRP6 217 1.020 2.297 50.601 6.174 -99.200 -91.000 TYR 218 0.840 2.840 58.319 12.173 -99.200 -91.000 TRP 225 1.040 23.839 58.443 1.226 -99.200 -91.000 TRP6 225 1.020 25.670 57.033 1.764 -99.200 -91.000 TYR 235 0.840 24.008 46.989 6.377 -99.200 -91.000 PHE 237 1.000 24.309 54.642 4.964 -99.200 -91.000 TYR 238 0.840 16.370 53.931 3.180 -99.200 -91.000 HIS 240 0.900 16.020 60.693 11.688 -99.200 -91.000 PHE 242 1.000 11.191 64.249 15.289 -99.200 -91.000 TRP 247 1.040 14.072 73.405 5.094 -99.200 -91.000 TRP6 247 1.020 13.341 71.902 3.413 -99.200 -91.000 PHE 255 1.000 8.697 80.123 0.988 -99.200 -91.000