============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 30 0.900 18.961 -3.128 -3.097 -99.200 -91.000 TYR 36 0.840 19.519 -3.082 1.663 -99.200 -91.000 TYR 38 0.840 19.883 -2.562 10.201 -99.200 -91.000 TRP 39 1.040 25.338 -9.709 13.000 -99.200 -91.000 TRP6 39 1.020 24.658 -11.765 13.957 -99.200 -91.000 PHE 40 1.000 19.130 -4.203 15.487 -99.200 -91.000 TYR 53 0.840 26.275 1.056 9.179 -99.200 -91.000 PHE 66 1.000 30.890 -6.255 20.368 -99.200 -91.000 PHE 75 1.000 24.155 -13.167 6.164 -99.200 -91.000 TYR 90 0.840 25.731 -10.361 21.438 -99.200 -91.000 TYR 91 0.840 16.919 -10.829 19.729 -99.200 -91.000 HIS 95 0.900 18.061 -3.287 6.083 -99.200 -91.000 TYR 98 0.840 8.580 -3.482 3.163 -99.200 -91.000 PHE 100 1.000 11.853 -4.224 6.653 -99.200 -91.000 PHE 102 1.000 13.710 -8.096 14.562 -99.200 -91.000 PHE 122 1.000 18.846 -5.253 54.278 -99.200 -91.000 PHE 139 1.000 18.202 -7.262 49.085 -99.200 -91.000 PHE 143 1.000 24.639 -16.263 43.826 -99.200 -91.000 TYR 144 0.840 29.927 -18.228 37.249 -99.200 -91.000 TRP 152 1.040 13.983 -17.210 54.471 -99.200 -91.000 TRP6 152 1.020 14.526 -15.105 55.401 -99.200 -91.000 TRP 167 1.040 17.669 -17.203 41.809 -99.200 -91.000 TRP6 167 1.020 15.448 -18.030 41.985 -99.200 -91.000 TYR 177 0.840 24.466 -16.199 37.126 -99.200 -91.000 TYR 190 0.840 9.259 -9.357 62.960 -99.200 -91.000 HIS 193 0.900 7.840 -17.862 66.503 -99.200 -91.000 TYR 196 0.840 11.975 -13.566 62.885 -99.200 -91.000 HIS 202 0.900 28.234 -20.231 45.485 -99.200 -91.000 PHE 213 1.000 15.946 -9.933 62.028 -99.200 -91.000