============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 30 0.840 38.962 18.860 -8.818 -99.200 -91.000 TYR 36 0.840 35.568 20.541 -4.696 -99.200 -91.000 TRP 39 1.040 24.325 27.842 -1.115 -99.200 -91.000 TRP6 39 1.020 23.453 29.860 -1.965 -99.200 -91.000 PHE 40 1.000 30.994 30.699 3.810 -99.200 -91.000 TYR 53 0.840 31.045 20.357 3.824 -99.200 -91.000 PHE 66 1.000 19.310 27.668 7.280 -99.200 -91.000 PHE 75 1.000 26.377 26.399 -8.285 -99.200 -91.000 TYR 90 0.840 20.603 33.280 4.306 -99.200 -91.000 TYR 91 0.840 27.894 37.617 1.854 -99.200 -91.000 PHE 95 1.000 37.756 25.949 -0.828 -99.200 -91.000 TYR 98 0.840 44.946 31.098 -8.733 -99.200 -91.000 PHE 100 1.000 40.361 28.689 -3.389 -99.200 -91.000 PHE 102 1.000 33.972 34.483 0.178 -99.200 -91.000 PHE 122 1.000 16.328 60.886 24.347 -99.200 -91.000 PHE 139 1.000 18.108 57.324 20.595 -99.200 -91.000 PHE 143 1.000 11.471 52.276 11.569 -99.200 -91.000 TYR 144 0.840 8.200 44.839 8.235 -99.200 -91.000 TRP 152 1.040 15.946 66.464 12.873 -99.200 -91.000 TRP6 152 1.020 15.991 66.496 15.233 -99.200 -91.000 TRP 167 1.040 17.919 54.754 8.069 -99.200 -91.000 TRP6 167 1.020 19.589 56.081 7.026 -99.200 -91.000 TYR 177 0.840 13.902 46.854 8.816 -99.200 -91.000 TYR 190 0.840 19.882 73.918 22.117 -99.200 -91.000 HIS 193 0.900 16.809 79.111 15.703 -99.200 -91.000 TYR 196 0.840 16.215 73.447 18.902 -99.200 -91.000 HIS 202 0.900 6.225 52.928 9.617 -99.200 -91.000 PHE 213 1.000 14.481 69.974 22.799 -99.200 -91.000