============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. HIS 1 0.900 65.614 8.102 12.696 -99.200 -91.000 TYR 17 0.840 38.986 16.519 5.392 -99.200 -91.000 PHE 36 1.000 31.644 10.100 3.931 -99.200 -91.000 PHE 44 1.000 40.961 10.821 5.086 -99.200 -91.000 HIS 62 0.900 47.378 10.660 17.544 -99.200 -91.000 TRP 63 1.040 53.361 16.232 13.872 -99.200 -91.000 TRP6 63 1.020 52.285 15.867 11.795 -99.200 -91.000 HIS 70 0.900 51.933 -2.477 14.062 -99.200 -91.000 TYR 78 0.840 41.538 21.196 8.725 -99.200 -91.000 TYR 82 0.840 31.683 21.236 15.018 -99.200 -91.000 PHE 101 1.000 41.151 -8.328 24.036 -99.200 -91.000 PHE 112 1.000 43.480 -15.063 19.568 -99.200 -91.000 TYR 130 0.840 57.497 5.836 16.185 -99.200 -91.000 HIS 132 0.900 57.325 2.746 26.892 -99.200 -91.000 HIS 138 0.900 48.200 5.382 24.567 -99.200 -91.000 TYR 148 0.840 42.728 -6.013 14.175 -99.200 -91.000 PHE 162 1.000 49.446 9.031 21.036 -99.200 -91.000 PHE 164 1.000 43.738 9.911 30.918 -99.200 -91.000 TYR 173 0.840 61.432 3.760 38.105 -99.200 -91.000 TRP 180 1.040 48.934 -3.418 35.185 -99.200 -91.000 TRP6 180 1.020 47.008 -2.238 34.510 -99.200 -91.000 TYR 187 0.840 45.485 -13.568 33.090 -99.200 -91.000 TYR 193 0.840 40.032 -15.983 32.933 -99.200 -91.000 PHE 196 1.000 41.873 -6.336 35.607 -99.200 -91.000 TYR 197 0.840 42.797 -11.384 43.098 -99.200 -91.000 TYR 210 0.840 49.180 -20.660 39.520 -99.200 -91.000 PHE 212 1.000 49.770 -17.125 35.028 -99.200 -91.000 TRP 217 1.040 45.429 -18.986 32.346 -99.200 -91.000 TRP6 217 1.020 46.929 -17.573 31.181 -99.200 -91.000 PHE 245 1.000 56.061 -7.482 25.118 -99.200 -91.000 HIS 248 0.900 59.942 -14.064 26.293 -99.200 -91.000 TRP 250 1.040 54.891 -16.490 23.352 -99.200 -91.000 TRP6 250 1.020 53.271 -14.790 23.373 -99.200 -91.000 HIS 263 0.900 39.941 -23.390 27.262 -99.200 -91.000 TRP 275 1.040 34.493 -6.092 26.299 -99.200 -91.000 TRP6 275 1.020 36.568 -7.097 26.884 -99.200 -91.000