============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 27 0.840 44.499 50.324 54.048 -99.200 -91.000 HIS 91 0.900 52.025 57.081 64.122 -99.200 -91.000 TYR 101 0.840 57.327 69.829 65.384 -99.200 -91.000 PHE 102 1.000 54.479 64.235 72.263 -99.200 -91.000 TYR 134 0.840 67.398 45.928 54.676 -99.200 -91.000 PHE 175 1.000 54.210 60.465 55.455 -99.200 -91.000 TRP 179 1.040 61.684 74.253 55.244 -99.200 -91.000 TRP6 179 1.020 61.810 76.244 54.017 -99.200 -91.000 TYR 191 0.840 74.637 56.264 49.889 -99.200 -91.000 TRP 192 1.040 73.347 60.864 57.031 -99.200 -91.000 TRP6 192 1.020 71.361 61.479 58.179 -99.200 -91.000 PHE 193 1.000 73.100 63.565 49.261 -99.200 -91.000 HIS 200 0.900 67.765 67.806 66.830 -99.200 -91.000 PHE 206 1.000 59.384 72.946 74.722 -99.200 -91.000 TYR 221 0.840 40.854 74.686 55.824 -99.200 -91.000 TYR 223 0.840 35.383 77.932 55.488 -99.200 -91.000 TYR 231 0.840 38.363 80.860 63.636 -99.200 -91.000 HIS 244 0.900 43.070 82.077 61.137 -99.200 -91.000 HIS 275 0.900 43.610 77.352 53.166 -99.200 -91.000 PHE 281 1.000 59.058 82.882 56.477 -99.200 -91.000 TRP 295 1.040 45.714 87.669 68.007 -99.200 -91.000 TRP6 295 1.020 44.748 88.493 66.021 -99.200 -91.000 HIS 299 0.900 59.619 80.506 60.809 -99.200 -91.000 PHE 327 1.000 54.236 78.036 67.308 -99.200 -91.000 TRP 328 1.040 59.477 83.537 64.549 -99.200 -91.000 TRP6 328 1.020 59.538 85.671 65.553 -99.200 -91.000 TYR 330 0.840 62.300 74.253 70.549 -99.200 -91.000