============================================================================= 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 17.875 68.057 34.446 -99.200 -91.000 TRP6 14 1.020 17.811 66.288 32.873 -99.200 -91.000 PHE 19 1.000 29.746 81.664 42.731 -99.200 -91.000 TRP 37 1.040 13.396 81.728 27.631 -99.200 -91.000 TRP6 37 1.020 12.574 83.570 28.867 -99.200 -91.000 HIS 43 0.900 12.791 80.508 48.270 -99.200 -91.000 TYR 47 0.840 10.913 86.657 52.646 -99.200 -91.000 TRP 49 1.040 14.161 87.703 56.002 -99.200 -91.000 TRP6 49 1.020 14.553 85.438 55.439 -99.200 -91.000 PHE 53 1.000 20.600 88.306 45.898 -99.200 -91.000 HIS 65 0.900 30.459 65.811 39.999 -99.200 -91.000 TYR 70 0.840 35.853 78.878 35.850 -99.200 -91.000 TYR 84 0.840 11.136 88.282 31.659 -99.200 -91.000 HIS 86 0.900 2.985 83.748 38.752 -99.200 -91.000 TYR 89 0.840 7.633 85.307 45.787 -99.200 -91.000 TRP 91 1.040 6.183 89.629 48.485 -99.200 -91.000 TRP6 91 1.020 6.216 91.119 50.326 -99.200 -91.000 PHE 110 1.000 20.901 72.704 24.362 -99.200 -91.000 TYR 113 0.840 30.727 67.313 30.780 -99.200 -91.000 HIS 115 0.900 19.845 67.936 25.820 -99.200 -91.000 TYR 132 0.840 3.172 56.708 40.228 -99.200 -91.000 TRP 139 1.040 26.413 71.925 43.552 -99.200 -91.000 TRP6 139 1.020 25.300 72.677 41.605 -99.200 -91.000 TRP 146 1.040 19.646 76.313 60.171 -99.200 -91.000 TRP6 146 1.020 18.006 76.226 61.875 -99.200 -91.000 PHE 184 1.000 5.523 68.371 43.705 -99.200 -91.000 TYR 188 0.840 11.952 57.720 51.051 -99.200 -91.000 PHE 207 1.000 9.821 65.534 43.082 -99.200 -91.000 PHE 213 1.000 3.428 56.237 30.467 -99.200 -91.000 TRP 217 1.040 15.826 61.702 33.321 -99.200 -91.000 TRP6 217 1.020 15.717 60.986 35.571 -99.200 -91.000 TYR 218 0.840 8.249 64.698 30.414 -99.200 -91.000 TRP 225 1.040 6.736 76.038 51.092 -99.200 -91.000 TRP6 225 1.020 5.760 75.152 53.063 -99.200 -91.000 TYR 235 0.840 5.731 64.162 54.944 -99.200 -91.000 PHE 237 1.000 4.588 71.243 52.061 -99.200 -91.000 TYR 238 0.840 10.121 69.276 46.451 -99.200 -91.000 HIS 240 0.900 1.433 70.765 40.177 -99.200 -91.000 PHE 242 1.000 -0.164 70.615 33.361 -99.200 -91.000 TRP 247 1.040 4.076 83.909 34.858 -99.200 -91.000 TRP6 247 1.020 6.246 83.182 35.466 -99.200 -91.000 PHE 255 1.000 8.327 89.970 28.562 -99.200 -91.000