============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 12 0.840 20.296 36.562 10.808 -99.200 -91.000 HIS 16 0.900 10.153 29.722 10.496 -99.200 -91.000 TYR 18 0.840 6.197 25.237 7.209 -99.200 -91.000 TRP 23 1.040 4.410 11.408 18.535 -99.200 -91.000 TRP6 23 1.020 5.592 10.659 16.633 -99.200 -91.000 HIS 24 0.900 3.528 12.657 12.516 -99.200 -91.000 PHE 26 1.000 4.552 20.894 20.321 -99.200 -91.000 TYR 27 0.840 10.118 12.525 15.427 -99.200 -91.000 TYR 29 0.840 10.426 23.489 20.135 -99.200 -91.000 TYR 31 0.840 15.645 15.322 13.223 -99.200 -91.000 PHE 39 1.000 28.325 19.569 27.104 -99.200 -91.000 PHE 60 1.000 29.903 20.733 39.458 -99.200 -91.000 PHE 63 1.000 23.652 21.947 41.010 -99.200 -91.000 TYR 71 0.840 12.898 16.888 41.544 -99.200 -91.000 TRP 72 1.040 7.574 13.464 46.718 -99.200 -91.000 TRP6 72 1.020 9.019 12.932 48.511 -99.200 -91.000 TYR 94 0.840 11.169 19.285 23.317 -99.200 -91.000 TRP 101 1.040 20.909 15.040 15.836 -99.200 -91.000 TRP6 101 1.020 21.044 15.066 13.467 -99.200 -91.000 PHE 117 1.000 27.168 15.210 24.696 -99.200 -91.000 PHE 120 1.000 33.021 19.603 30.086 -99.200 -91.000 PHE 122 1.000 28.545 13.957 29.782 -99.200 -91.000 TRP 127 1.040 16.949 14.135 26.441 -99.200 -91.000 TRP6 127 1.020 16.566 16.229 27.452 -99.200 -91.000 PHE 130 1.000 11.077 12.950 36.047 -99.200 -91.000 PHE 136 1.000 7.343 25.489 32.800 -99.200 -91.000 PHE 144 1.000 14.958 31.742 36.714 -99.200 -91.000 TYR 164 0.840 16.464 49.171 67.650 -99.200 -91.000 PHE 173 1.000 10.535 41.813 59.856 -99.200 -91.000 TRP 178 1.040 8.156 48.541 52.068 -99.200 -91.000 TRP6 178 1.020 10.052 49.952 52.153 -99.200 -91.000 TYR 195 0.840 -4.150 41.620 46.099 -99.200 -91.000 PHE 199 1.000 -2.269 40.014 52.136 -99.200 -91.000