============================================================================= 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 5 1.040 9.239 46.056 8.050 -99.200 -91.000 TRP6 5 1.020 7.061 46.808 7.518 -99.200 -91.000 TRP 14 1.040 5.041 38.535 20.270 -99.200 -91.000 TRP6 14 1.020 5.472 40.526 21.461 -99.200 -91.000 PHE 19 1.000 11.932 22.534 11.481 -99.200 -91.000 TRP 37 1.040 -0.592 26.628 28.950 -99.200 -91.000 TRP6 37 1.020 -1.773 24.799 28.024 -99.200 -91.000 HIS 43 0.900 -5.259 26.980 8.920 -99.200 -91.000 TYR 47 0.840 -8.301 21.889 5.440 -99.200 -91.000 TRP 49 1.040 -5.164 22.290 2.054 -99.200 -91.000 TRP6 49 1.020 -4.881 24.393 3.111 -99.200 -91.000 PHE 53 1.000 1.497 17.842 10.751 -99.200 -91.000 HIS 65 0.900 16.582 38.112 12.586 -99.200 -91.000 TYR 70 0.840 20.514 25.245 17.140 -99.200 -91.000 TYR 84 0.840 -4.720 20.086 25.735 -99.200 -91.000 HIS 86 0.900 -13.568 25.672 20.097 -99.200 -91.000 TYR 89 0.840 -10.378 23.516 12.465 -99.200 -91.000 TRP 91 1.040 -11.956 18.212 9.206 -99.200 -91.000 TRP6 91 1.020 -12.175 17.325 7.019 -99.200 -91.000 PHE 110 1.000 9.192 33.561 30.060 -99.200 -91.000 TYR 113 0.840 18.062 38.014 21.521 -99.200 -91.000 HIS 115 0.900 8.833 39.168 28.289 -99.200 -91.000 TYR 133 0.840 -8.024 52.435 16.442 -99.200 -91.000 TRP 140 1.040 10.785 32.818 10.152 -99.200 -91.000 TRP6 140 1.020 10.024 32.213 12.305 -99.200 -91.000 TRP 147 1.040 3.442 27.347 -9.639 -99.200 -91.000 TRP6 147 1.020 5.091 25.690 -9.363 -99.200 -91.000 PHE 184 1.000 -8.929 40.597 13.901 -99.200 -91.000 PHE 188 1.000 -1.603 48.246 4.182 -99.200 -91.000 PHE 207 1.000 -4.024 42.278 13.498 -99.200 -91.000 PHE 213 1.000 -5.962 53.473 26.421 -99.200 -91.000 TRP 217 1.040 4.375 45.235 21.639 -99.200 -91.000 TRP6 217 1.020 3.911 45.804 19.394 -99.200 -91.000 TYR 218 0.840 -2.909 44.034 25.936 -99.200 -91.000 TYR 235 0.840 -10.501 43.770 2.312 -99.200 -91.000 PHE 237 1.000 -11.229 35.706 5.011 -99.200 -91.000 TYR 238 0.840 -5.214 38.396 10.357 -99.200 -91.000 HIS 240 0.900 -12.560 39.189 18.525 -99.200 -91.000 PHE 242 1.000 -12.783 39.616 25.063 -99.200 -91.000 TRP 247 1.040 -11.487 25.941 23.690 -99.200 -91.000 TRP6 247 1.020 -9.335 26.138 22.720 -99.200 -91.000 PHE 255 1.000 -2.200 22.029 33.611 -99.200 -91.000