============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 9 1.000 11.794 50.213 43.115 -99.200 -91.000 TYR 30 0.840 5.790 23.395 23.485 -99.200 -91.000 TYR 36 0.840 2.509 28.566 24.735 -99.200 -91.000 TYR 38 0.840 0.383 33.806 29.151 -99.200 -91.000 TRP 39 1.040 4.283 41.574 28.770 -99.200 -91.000 TRP6 39 1.020 6.121 42.172 30.125 -99.200 -91.000 TYR 40 0.840 -1.663 38.014 34.309 -99.200 -91.000 TYR 53 0.840 -4.791 36.510 24.874 -99.200 -91.000 PHE 66 1.000 -1.323 49.224 28.074 -99.200 -91.000 PHE 75 1.000 10.448 36.997 27.160 -99.200 -91.000 TYR 90 0.840 2.266 48.465 33.698 -99.200 -91.000 TYR 91 0.840 3.261 41.663 39.568 -99.200 -91.000 TRP 100 1.040 -0.186 29.716 34.514 -99.200 -91.000 TRP6 100 1.020 -0.292 31.733 33.295 -99.200 -91.000 PHE 102 1.000 1.851 35.064 37.991 -99.200 -91.000 PHE 122 1.000 -3.233 66.322 61.016 -99.200 -91.000 PHE 139 1.000 -0.965 63.781 54.632 -99.200 -91.000 PHE 143 1.000 6.156 63.967 49.217 -99.200 -91.000 TYR 144 0.840 7.813 63.174 40.624 -99.200 -91.000 TRP 152 1.040 8.764 63.567 64.021 -99.200 -91.000 TRP6 152 1.020 6.758 64.597 64.721 -99.200 -91.000 TRP 167 1.040 7.121 58.200 51.057 -99.200 -91.000 TRP6 167 1.020 8.626 57.709 52.806 -99.200 -91.000 TYR 177 0.840 5.456 59.165 44.626 -99.200 -91.000 TYR 190 0.840 1.313 65.290 73.929 -99.200 -91.000 HIS 193 0.900 10.009 65.872 76.393 -99.200 -91.000 TYR 196 0.840 5.565 67.034 71.725 -99.200 -91.000 HIS 202 0.900 10.139 67.365 47.465 -99.200 -91.000 PHE 213 1.000 1.687 69.718 68.936 -99.200 -91.000