============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 27 1.000 3.355 18.621 47.547 -99.200 -91.000 PHE 29 1.000 2.939 23.634 43.868 -99.200 -91.000 PHE 32 1.000 2.508 21.161 52.273 -99.200 -91.000 HIS 35 0.900 13.100 26.772 50.772 -99.200 -91.000 TRP 36 1.040 13.216 26.486 42.066 -99.200 -91.000 TRP6 36 1.020 13.452 24.637 40.592 -99.200 -91.000 TRP 47 1.040 17.385 29.057 49.850 -99.200 -91.000 TRP6 47 1.020 17.598 31.398 49.958 -99.200 -91.000 TYR 50 0.840 9.955 30.469 51.456 -99.200 -91.000 TYR 58 0.840 12.366 35.270 52.806 -99.200 -91.000 TYR 59 0.840 14.536 35.615 43.987 -99.200 -91.000 PHE 67 1.000 19.698 31.846 38.602 -99.200 -91.000 PHE 79 1.000 6.222 27.471 36.223 -99.200 -91.000 TYR 93 0.840 20.343 25.312 39.286 -99.200 -91.000 TYR 94 0.840 19.123 17.874 44.187 -99.200 -91.000 TYR 104 0.840 4.524 23.722 73.937 -99.200 -91.000 TYR 108 0.840 12.514 23.674 62.784 -99.200 -91.000 TYR 112 0.840 8.167 14.093 51.378 -99.200 -91.000 TRP 113 1.040 15.606 18.017 49.862 -99.200 -91.000 TRP6 113 1.020 17.428 19.447 49.365 -99.200 -91.000 TYR 132 0.840 37.340 4.999 20.400 -99.200 -91.000 TYR 155 0.840 30.513 12.042 27.729 -99.200 -91.000 PHE 156 1.000 30.449 20.417 27.169 -99.200 -91.000 TRP 164 1.040 29.144 -2.977 30.572 -99.200 -91.000 TRP6 164 1.020 30.713 -3.399 28.844 -99.200 -91.000 HIS 174 0.900 33.569 -1.829 39.923 -99.200 -91.000 PHE 176 1.000 36.095 2.738 36.763 -99.200 -91.000 TYR 185 0.840 32.002 16.363 31.053 -99.200 -91.000 HIS 209 0.900 26.093 13.234 24.647 -99.200 -91.000