============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 6 1.000 22.174 21.603 5.111 -99.200 -91.000 TRP 15 1.040 22.896 17.991 10.059 -99.200 -91.000 TRP6 15 1.020 23.615 17.283 7.914 -99.200 -91.000 TYR 19 0.840 30.628 11.607 11.948 -99.200 -91.000 HIS 24 0.900 26.383 -0.151 12.021 -99.200 -91.000 PHE 29 1.000 38.737 -2.816 3.205 -99.200 -91.000 TYR 45 0.840 47.314 12.204 16.246 -99.200 -91.000 PHE 51 1.000 41.297 1.118 5.954 -99.200 -91.000 HIS 53 0.900 42.447 -1.126 0.366 -99.200 -91.000 HIS 59 0.900 58.525 4.250 -5.555 -99.200 -91.000 TYR 65 0.840 53.732 2.894 8.143 -99.200 -91.000 TYR 80 0.840 41.090 14.013 -3.837 -99.200 -91.000 HIS 93 0.900 60.728 8.172 6.662 -99.200 -91.000 PHE 94 1.000 54.681 15.736 3.286 -99.200 -91.000 TRP 95 1.040 59.276 17.641 2.093 -99.200 -91.000 TRP6 95 1.020 57.767 18.795 0.693 -99.200 -91.000 TRP 99 1.040 61.689 12.655 -6.934 -99.200 -91.000 TRP6 99 1.020 62.410 14.759 -7.734 -99.200 -91.000 TYR 123 0.840 55.104 19.824 5.786 -99.200 -91.000 TRP 124 1.040 56.599 25.428 5.114 -99.200 -91.000 TRP6 124 1.020 55.082 24.658 6.754 -99.200 -91.000 PHE 134 1.000 63.578 17.360 4.243 -99.200 -91.000 TYR 151 0.840 40.677 32.274 3.970 -99.200 -91.000 TYR 152 0.840 44.233 31.791 0.579 -99.200 -91.000 HIS 172 0.900 52.844 24.046 2.449 -99.200 -91.000 PHE 173 1.000 47.898 25.323 -3.662 -99.200 -91.000 HIS 174 0.900 49.888 26.437 6.767 -99.200 -91.000 TYR 175 0.840 41.025 27.202 5.317 -99.200 -91.000 TRP 178 1.040 38.898 23.068 8.869 -99.200 -91.000 TRP6 178 1.020 38.711 22.285 6.661 -99.200 -91.000 PHE 181 1.000 39.096 16.074 16.624 -99.200 -91.000 PHE 190 1.000 36.223 23.487 1.495 -99.200 -91.000 PHE 193 1.000 43.140 26.174 1.001 -99.200 -91.000 PHE 195 1.000 35.873 26.213 -7.253 -99.200 -91.000 HIS 207 0.900 50.764 18.613 -12.498 -99.200 -91.000 HIS 213 0.900 49.910 18.210 6.165 -99.200 -91.000 PHE 224 1.000 41.122 20.349 -0.284 -99.200 -91.000 PHE 255 1.000 39.870 3.712 -2.347 -99.200 -91.000 PHE 268 1.000 32.270 24.173 5.655 -99.200 -91.000 TYR 270 0.840 24.824 16.329 3.018 -99.200 -91.000 PHE 279 1.000 33.065 28.497 -10.979 -99.200 -91.000 TRP 290 1.040 31.777 31.220 -3.400 -99.200 -91.000 TRP6 290 1.020 32.455 29.559 -4.941 -99.200 -91.000 HIS 295 0.900 35.192 39.185 5.188 -99.200 -91.000