============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 2 1.000 26.307 27.391 0.092 -99.200 -91.000 HIS 4 0.900 14.825 31.584 2.521 -99.200 -91.000 PHE 5 1.000 21.567 33.697 7.303 -99.200 -91.000 HIS 9 0.900 10.803 46.561 8.404 -99.200 -91.000 HIS 13 0.900 14.451 52.338 10.746 -99.200 -91.000 TRP 16 1.040 14.220 51.480 3.992 -99.200 -91.000 TRP6 16 1.020 15.637 52.678 5.464 -99.200 -91.000 TRP 18 1.040 17.210 43.918 6.968 -99.200 -91.000 TRP6 18 1.020 18.561 43.326 8.823 -99.200 -91.000 HIS 19 0.900 21.735 49.975 1.378 -99.200 -91.000 HIS 30 0.900 24.814 31.868 4.023 -99.200 -91.000 PHE 53 1.000 5.680 45.011 17.303 -99.200 -91.000 TYR 56 0.840 5.451 46.389 12.281 -99.200 -91.000 PHE 63 1.000 9.781 34.054 3.537 -99.200 -91.000 TYR 92 0.840 3.564 30.084 10.176 -99.200 -91.000 PHE 101 1.000 15.939 37.359 19.411 -99.200 -91.000 HIS 102 0.900 21.648 44.134 13.467 -99.200 -91.000 HIS 111 0.900 8.886 39.061 33.526 -99.200 -91.000 TYR 115 0.840 9.768 42.314 32.133 -99.200 -91.000 PHE 124 1.000 17.217 56.910 23.892 -99.200 -91.000 TRP 127 1.040 12.179 57.518 22.795 -99.200 -91.000 TRP6 127 1.020 12.132 55.745 21.278 -99.200 -91.000 TYR 132 0.840 6.271 60.257 20.622 -99.200 -91.000 PHE 133 1.000 0.810 58.956 13.902 -99.200 -91.000 TYR 135 0.840 -3.065 54.227 14.354 -99.200 -91.000 PHE 149 1.000 14.028 63.761 8.910 -99.200 -91.000 TYR 157 0.840 19.965 55.184 10.409 -99.200 -91.000 TYR 165 0.840 20.806 61.799 9.211 -99.200 -91.000 PHE 178 1.000 1.048 48.626 16.072 -99.200 -91.000 PHE 187 1.000 2.158 36.905 30.351 -99.200 -91.000 PHE 188 1.000 5.532 37.503 22.263 -99.200 -91.000 TYR 193 0.840 10.355 34.346 21.949 -99.200 -91.000 TYR 200 0.840 20.821 40.494 23.015 -99.200 -91.000 TRP 202 1.040 25.782 42.667 23.352 -99.200 -91.000 TRP6 202 1.020 26.225 44.346 24.953 -99.200 -91.000 PHE 209 1.000 16.693 48.849 21.084 -99.200 -91.000 PHE 213 1.000 16.184 47.299 26.287 -99.200 -91.000 TRP 216 1.040 16.456 44.481 32.803 -99.200 -91.000 TRP6 216 1.020 14.716 44.084 31.257 -99.200 -91.000 TYR 221 0.840 13.466 34.112 26.963 -99.200 -91.000 TYR 227 0.840 28.187 34.869 17.647 -99.200 -91.000 HIS 234 0.900 19.544 50.544 17.424 -99.200 -91.000 TYR 255 0.840 22.366 27.599 16.963 -99.200 -91.000