============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 8.455 7.361 18.332 -99.200 -91.000 TRP6 14 1.020 7.286 9.310 18.990 -99.200 -91.000 PHE 19 1.000 12.771 -4.295 2.820 -99.200 -91.000 TRP 37 1.040 23.054 11.235 13.908 -99.200 -91.000 TRP6 37 1.020 24.895 9.757 13.885 -99.200 -91.000 HIS 43 0.900 19.254 -7.834 19.223 -99.200 -91.000 TYR 47 0.840 24.323 -13.612 18.625 -99.200 -91.000 TRP 49 1.040 22.583 -17.415 16.195 -99.200 -91.000 TRP6 49 1.020 20.386 -16.704 16.671 -99.200 -91.000 PHE 53 1.000 22.382 -8.249 8.309 -99.200 -91.000 HIS 65 0.900 -0.999 1.503 10.023 -99.200 -91.000 TYR 70 0.840 7.229 2.698 -2.186 -99.200 -91.000 TYR 84 0.840 29.167 6.101 13.471 -99.200 -91.000 HIS 86 0.900 28.636 1.207 24.344 -99.200 -91.000 TYR 89 0.840 26.403 -6.474 20.677 -99.200 -91.000 TRP 91 1.040 30.096 -10.053 19.921 -99.200 -91.000 TRP6 91 1.020 31.068 -12.178 19.585 -99.200 -91.000 PHE 110 1.000 12.254 15.622 11.538 -99.200 -91.000 TYR 113 0.840 1.295 10.328 7.343 -99.200 -91.000 HIS 115 0.900 8.032 15.282 15.276 -99.200 -91.000 TYR 132 0.840 5.889 5.680 37.448 -99.200 -91.000 TRP 139 1.040 5.516 -2.898 10.801 -99.200 -91.000 TRP6 139 1.020 7.059 -1.120 11.016 -99.200 -91.000 PHE 177 1.000 13.686 -0.713 30.524 -99.200 -91.000 TYR 181 0.840 0.299 -6.026 31.920 -99.200 -91.000 PHE 200 1.000 9.299 0.160 28.001 -99.200 -91.000 PHE 206 1.000 6.861 14.764 35.987 -99.200 -91.000 TRP 210 1.040 4.458 10.123 23.128 -99.200 -91.000 TRP6 210 1.020 3.628 8.130 24.063 -99.200 -91.000 TYR 211 0.840 11.516 12.832 27.384 -99.200 -91.000 TRP 218 1.040 18.304 -9.822 26.980 -99.200 -91.000 TRP6 218 1.020 17.692 -11.307 28.689 -99.200 -91.000 TYR 228 0.840 8.424 -10.679 34.256 -99.200 -91.000 PHE 230 1.000 15.382 -9.456 31.145 -99.200 -91.000 TYR 231 0.840 11.681 -3.931 26.616 -99.200 -91.000 HIS 233 0.900 18.485 2.558 32.227 -99.200 -91.000 PHE 235 1.000 20.652 9.153 32.082 -99.200 -91.000 TRP 240 1.040 28.864 4.538 21.966 -99.200 -91.000 TRP6 240 1.020 27.011 3.947 20.640 -99.200 -91.000 PHE 248 1.000 32.362 9.156 14.417 -99.200 -91.000