============================================================================= 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 8.450 6.234 18.556 -99.200 -91.000 TRP6 14 1.020 7.180 8.078 19.336 -99.200 -91.000 PHE 19 1.000 12.615 -5.452 3.327 -99.200 -91.000 TRP 37 1.040 22.818 10.218 14.383 -99.200 -91.000 TRP6 37 1.020 24.522 8.609 14.331 -99.200 -91.000 HIS 43 0.900 18.976 -9.081 19.406 -99.200 -91.000 TYR 47 0.840 23.644 -14.360 19.157 -99.200 -91.000 TRP 49 1.040 21.683 -17.794 16.629 -99.200 -91.000 TRP6 49 1.020 19.959 -16.360 17.310 -99.200 -91.000 PHE 53 1.000 22.184 -9.315 8.741 -99.200 -91.000 HIS 65 0.900 -1.157 0.382 10.382 -99.200 -91.000 TYR 70 0.840 7.515 1.615 -1.888 -99.200 -91.000 TYR 84 0.840 29.645 5.122 13.971 -99.200 -91.000 HIS 86 0.900 29.015 -0.061 24.755 -99.200 -91.000 TYR 89 0.840 26.339 -7.515 21.106 -99.200 -91.000 TRP 91 1.040 29.910 -11.236 20.447 -99.200 -91.000 TRP6 91 1.020 30.788 -13.399 20.086 -99.200 -91.000 PHE 110 1.000 11.841 14.651 11.924 -99.200 -91.000 TYR 113 0.840 0.965 9.301 7.674 -99.200 -91.000 HIS 115 0.900 7.712 14.214 15.659 -99.200 -91.000 TYR 132 0.840 5.596 4.325 37.772 -99.200 -91.000 TRP 139 1.040 5.532 -3.944 11.200 -99.200 -91.000 TRP6 139 1.020 6.991 -2.114 11.406 -99.200 -91.000 PHE 177 1.000 13.529 -1.599 30.767 -99.200 -91.000 TYR 181 0.840 0.406 -7.116 32.325 -99.200 -91.000 PHE 200 1.000 9.279 -0.682 28.255 -99.200 -91.000 PHE 206 1.000 6.787 14.297 36.103 -99.200 -91.000 TRP 210 1.040 4.329 9.132 23.476 -99.200 -91.000 TRP6 210 1.020 3.350 7.212 24.386 -99.200 -91.000 TYR 211 0.840 11.179 11.965 27.618 -99.200 -91.000 TRP 218 1.040 18.319 -10.851 27.583 -99.200 -91.000 TRP6 218 1.020 17.909 -12.500 29.228 -99.200 -91.000 TYR 228 0.840 8.994 -11.764 34.697 -99.200 -91.000 PHE 230 1.000 15.662 -10.251 31.722 -99.200 -91.000 TYR 231 0.840 11.837 -4.874 27.021 -99.200 -91.000 HIS 233 0.900 18.384 1.464 32.527 -99.200 -91.000 PHE 235 1.000 20.025 8.489 32.232 -99.200 -91.000 TRP 240 1.040 28.767 3.858 22.505 -99.200 -91.000 TRP6 240 1.020 27.019 3.148 21.060 -99.200 -91.000 PHE 248 1.000 32.482 8.261 15.482 -99.200 -91.000