============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 4 0.900 -14.838 21.130 60.821 -99.200 -91.000 PHE 27 1.000 -11.278 25.131 56.786 -99.200 -91.000 PHE 57 1.000 -3.699 39.783 63.154 -99.200 -91.000 HIS 58 0.900 -2.911 34.792 68.127 -99.200 -91.000 PHE 74 1.000 -6.831 32.323 68.753 -99.200 -91.000 TYR 79 0.840 -10.954 28.138 66.234 -99.200 -91.000 PHE 93 1.000 19.324 38.682 53.372 -99.200 -91.000 PHE 101 1.000 26.271 32.575 50.051 -99.200 -91.000 HIS 102 0.900 29.239 35.718 57.283 -99.200 -91.000 PHE 113 1.000 15.263 23.160 58.504 -99.200 -91.000 PHE 114 1.000 17.701 25.624 61.859 -99.200 -91.000 PHE 156 1.000 20.155 18.311 51.492 -99.200 -91.000 PHE 173 1.000 23.896 27.239 52.305 -99.200 -91.000 HIS 182 0.900 29.112 28.493 49.350 -99.200 -91.000 TRP 187 1.040 27.052 23.078 51.750 -99.200 -91.000 TRP6 187 1.020 25.076 21.955 52.443 -99.200 -91.000 TYR 192 0.840 13.938 31.542 48.187 -99.200 -91.000 HIS 206 0.900 7.944 17.862 60.259 -99.200 -91.000 TRP 228 1.040 9.430 35.022 38.911 -99.200 -91.000 TRP6 228 1.020 9.862 35.938 36.737 -99.200 -91.000 TYR 251 0.840 -4.576 19.718 44.385 -99.200 -91.000 HIS 263 0.900 1.022 12.191 54.325 -99.200 -91.000 PHE 266 1.000 9.268 20.439 45.291 -99.200 -91.000 TRP 275 1.040 13.584 15.892 47.240 -99.200 -91.000 TRP6 275 1.020 13.871 18.212 46.736 -99.200 -91.000