============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TYR 4 0.840 5.442 30.206 -77.953 -99.200 -91.000 PHE 20 1.000 -9.692 13.814 -76.688 -99.200 -91.000 HIS 31 0.900 -16.235 22.548 -69.099 -99.200 -91.000 PHE 36 1.000 -3.990 27.315 -69.957 -99.200 -91.000 PHE 42 1.000 -1.058 31.581 -71.880 -99.200 -91.000 TRP 53 1.040 -7.169 8.735 -78.611 -99.200 -91.000 TRP6 53 1.020 -9.492 8.462 -78.949 -99.200 -91.000 HIS 56 0.900 -12.490 13.207 -80.591 -99.200 -91.000 TYR 64 0.840 -17.780 21.580 -78.020 -99.200 -91.000 PHE 89 1.000 4.374 22.951 -83.327 -99.200 -91.000 TYR 94 0.840 4.812 28.754 -83.721 -99.200 -91.000 HIS 105 0.900 -3.767 23.500 -65.982 -99.200 -91.000 PHE 111 1.000 -14.068 22.456 -62.329 -99.200 -91.000 HIS 114 0.900 -10.333 34.323 -65.879 -99.200 -91.000 HIS 146 0.900 7.046 2.120 -49.110 -99.200 -91.000 HIS 157 0.900 8.478 23.848 -42.587 -99.200 -91.000 TYR 159 0.840 3.060 25.307 -49.184 -99.200 -91.000 PHE 167 1.000 8.682 23.913 -65.824 -99.200 -91.000 PHE 173 1.000 15.395 20.819 -75.599 -99.200 -91.000 HIS 175 0.900 18.480 23.584 -65.473 -99.200 -91.000 TYR 176 0.840 13.997 15.277 -70.253 -99.200 -91.000 PHE 209 1.000 -11.974 26.919 -56.977 -99.200 -91.000 TYR 217 0.840 -12.813 11.276 -54.433 -99.200 -91.000