============================================================================= 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 8.417 6.321 18.504 -99.200 -91.000 TRP6 14 1.020 7.125 8.145 19.282 -99.200 -91.000 PHE 19 1.000 12.587 -5.391 3.173 -99.200 -91.000 TRP 37 1.040 22.938 10.380 14.202 -99.200 -91.000 TRP6 37 1.020 24.813 8.941 14.194 -99.200 -91.000 HIS 43 0.900 19.361 -9.046 19.470 -99.200 -91.000 TYR 47 0.840 23.707 -14.220 18.923 -99.200 -91.000 TRP 49 1.040 21.906 -17.979 16.499 -99.200 -91.000 TRP6 49 1.020 20.001 -16.699 17.080 -99.200 -91.000 PHE 53 1.000 22.220 -9.227 8.531 -99.200 -91.000 HIS 65 0.900 -0.926 0.659 10.364 -99.200 -91.000 TYR 70 0.840 7.387 1.640 -1.969 -99.200 -91.000 TYR 84 0.840 29.240 5.177 14.078 -99.200 -91.000 HIS 86 0.900 29.039 -0.073 24.628 -99.200 -91.000 TYR 89 0.840 26.445 -7.437 20.890 -99.200 -91.000 TRP 91 1.040 29.971 -11.089 20.271 -99.200 -91.000 TRP6 91 1.020 30.942 -13.235 19.929 -99.200 -91.000 PHE 110 1.000 12.141 14.765 11.723 -99.200 -91.000 TYR 113 0.840 1.131 9.342 7.561 -99.200 -91.000 HIS 115 0.900 7.818 14.562 15.519 -99.200 -91.000 TYR 133 0.840 5.788 4.610 37.875 -99.200 -91.000 TRP 140 1.040 5.438 -3.817 11.132 -99.200 -91.000 TRP6 140 1.020 7.049 -2.088 11.309 -99.200 -91.000 PHE 177 1.000 13.686 -1.545 30.779 -99.200 -91.000 TYR 181 0.840 0.373 -7.076 32.138 -99.200 -91.000 PHE 200 1.000 9.273 -0.651 28.288 -99.200 -91.000 PHE 206 1.000 7.031 14.079 35.931 -99.200 -91.000 TRP 210 1.040 4.254 9.296 23.312 -99.200 -91.000 TRP6 210 1.020 3.426 7.314 24.313 -99.200 -91.000 TYR 211 0.840 11.237 12.086 27.613 -99.200 -91.000 TRP 218 1.040 18.440 -10.783 27.037 -99.200 -91.000 TRP6 218 1.020 17.834 -12.358 28.705 -99.200 -91.000 TYR 228 0.840 8.585 -11.746 34.597 -99.200 -91.000 PHE 230 1.000 15.502 -10.376 31.492 -99.200 -91.000 TYR 231 0.840 11.667 -4.816 26.883 -99.200 -91.000 HIS 233 0.900 18.481 1.695 32.518 -99.200 -91.000 PHE 235 1.000 20.268 8.393 32.438 -99.200 -91.000 TRP 240 1.040 28.818 3.777 22.585 -99.200 -91.000 TRP6 240 1.020 27.112 3.097 21.087 -99.200 -91.000 PHE 248 1.000 32.306 8.395 15.394 -99.200 -91.000