============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 21 1.000 46.839 46.733 2.339 -99.200 -91.000 PHE 25 1.000 42.481 42.821 5.583 -99.200 -91.000 HIS 27 0.900 36.926 41.048 -3.176 -99.200 -91.000 PHE 28 1.000 40.780 36.144 5.625 -99.200 -91.000 PHE 31 1.000 37.297 34.327 7.911 -99.200 -91.000 TRP 43 1.040 55.183 20.325 23.521 -99.200 -91.000 TRP6 43 1.020 52.905 20.865 23.199 -99.200 -91.000 TRP 67 1.040 29.169 35.073 15.811 -99.200 -91.000 TRP6 67 1.020 28.784 33.632 17.650 -99.200 -91.000 TYR 69 0.840 38.442 32.200 20.375 -99.200 -91.000 PHE 81 1.000 50.314 25.056 19.867 -99.200 -91.000 HIS 86 0.900 41.010 34.072 11.534 -99.200 -91.000 TYR 93 0.840 42.669 38.206 1.283 -99.200 -91.000 PHE 95 1.000 52.646 35.557 4.346 -99.200 -91.000 PHE 101 1.000 54.031 46.298 -3.743 -99.200 -91.000 TYR 107 0.840 61.963 49.615 -12.027 -99.200 -91.000 PHE 108 1.000 59.191 40.044 -8.023 -99.200 -91.000 PHE 125 1.000 57.192 38.629 10.169 -99.200 -91.000 PHE 132 1.000 48.584 41.605 8.795 -99.200 -91.000 PHE 136 1.000 48.935 48.401 16.238 -99.200 -91.000 TRP 143 1.040 47.860 44.803 13.707 -99.200 -91.000 TRP6 143 1.020 48.457 43.771 15.750 -99.200 -91.000 TYR 150 0.840 42.847 39.283 13.204 -99.200 -91.000 PHE 159 1.000 51.156 51.808 25.352 -99.200 -91.000 PHE 170 1.000 58.834 47.457 12.198 -99.200 -91.000 HIS 171 0.900 52.776 45.879 13.384 -99.200 -91.000 TYR 172 0.840 51.570 49.685 20.427 -99.200 -91.000 HIS 180 0.900 52.963 61.982 3.946 -99.200 -91.000 TYR 184 0.840 52.900 52.751 6.419 -99.200 -91.000 PHE 193 1.000 62.591 45.144 -6.578 -99.200 -91.000 HIS 203 0.900 75.627 39.336 -6.105 -99.200 -91.000 PHE 213 1.000 62.147 50.372 -6.022 -99.200 -91.000 TYR 220 0.840 56.585 61.358 -0.430 -99.200 -91.000 HIS 230 0.900 57.130 65.290 9.573 -99.200 -91.000 PHE 232 1.000 68.599 63.927 12.519 -99.200 -91.000 PHE 234 1.000 66.900 57.512 3.317 -99.200 -91.000 HIS 251 0.900 57.509 37.392 15.107 -99.200 -91.000 HIS 262 0.900 48.658 22.367 16.799 -99.200 -91.000 PHE 264 1.000 50.636 27.176 12.441 -99.200 -91.000 PHE 273 1.000 56.784 32.472 6.113 -99.200 -91.000