============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 39 1.000 76.370 23.106 4.559 -99.200 -91.000 PHE 50 1.000 90.319 24.900 15.112 -99.200 -91.000 TRP 56 1.040 91.556 23.880 26.486 -99.200 -91.000 TRP6 56 1.020 92.568 22.272 25.058 -99.200 -91.000 PHE 63 1.000 98.989 25.435 21.488 -99.200 -91.000 TRP 79 1.040 92.021 20.482 11.427 -99.200 -91.000 TRP6 79 1.020 89.958 20.351 10.311 -99.200 -91.000 HIS 87 0.900 78.564 15.734 17.854 -99.200 -91.000 TYR 89 0.840 82.663 15.412 28.512 -99.200 -91.000 TYR 94 0.840 70.841 16.005 24.377 -99.200 -91.000 HIS 122 0.900 70.964 8.706 8.468 -99.200 -91.000 HIS 136 0.900 75.784 6.438 29.880 -99.200 -91.000 PHE 145 1.000 85.935 17.067 27.136 -99.200 -91.000 PHE 150 1.000 98.431 18.800 27.776 -99.200 -91.000 PHE 154 1.000 100.917 19.924 23.954 -99.200 -91.000 PHE 160 1.000 106.082 15.051 11.397 -99.200 -91.000 HIS 164 0.900 112.711 18.211 18.165 -99.200 -91.000 TYR 181 0.840 90.557 10.584 37.165 -99.200 -91.000 HIS 185 0.900 90.266 9.334 41.000 -99.200 -91.000 TYR 186 0.840 86.145 6.038 36.887 -99.200 -91.000 HIS 188 0.900 86.471 -3.398 41.675 -99.200 -91.000 PHE 193 1.000 96.645 4.761 29.266 -99.200 -91.000 TYR 213 0.840 79.400 16.752 5.414 -99.200 -91.000 TYR 215 0.840 88.674 16.986 -1.536 -99.200 -91.000 HIS 216 0.900 80.208 15.323 -1.957 -99.200 -91.000 HIS 218 0.900 87.424 23.087 -1.240 -99.200 -91.000